USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 998 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 151:sc= 0.148 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0763 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.353 K(o=-0.35,f=-2.7!) USER MOD Single : A 41 GLN : amide:sc=-0.00276 X(o=-0.0028,f=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -2.06 F(o=-2.6!,f=-2.1) USER MOD Single : A 44 ASN : amide:sc= -1.75 K(o=-1.7,f=-7.5!) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.2) USER MOD Single : A 76 SER OG : rot 180:sc= -1.34 USER MOD Single : A 81 GLN : amide:sc= -1.65 K(o=-1.6,f=-2.8!) USER MOD Single : A 84 HIS : no HD1:sc= -0.485 K(o=-0.49,f=-1.7) USER MOD Single : A 87 TYR OH : rot 160:sc= -1.66! USER MOD Single : A 88 MET CE :methyl 158:sc= -0.152 (180deg=-0.775) USER MOD Single : A 98 THR OG1 : rot 79:sc= -0.485 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 109 THR OG1 : rot 65:sc= 1.14 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.26) USER MOD Single : A 115 THR OG1 : rot 106:sc= 1.24 USER MOD Single : A 116 GLN : amide:sc= -0.343 K(o=-0.34,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.068 3.832 -4.322 1.00 15.44 N ATOM 2 CA MET A 1 -0.701 2.710 -5.006 1.00 3.31 C ATOM 3 C MET A 1 -0.034 1.394 -4.624 1.00 74.14 C ATOM 4 O MET A 1 0.870 0.921 -5.313 1.00 71.53 O ATOM 5 CB MET A 1 -0.635 2.908 -6.522 1.00 63.25 C ATOM 6 CG MET A 1 -1.650 3.909 -7.049 1.00 72.34 C ATOM 7 SD MET A 1 -1.494 4.189 -8.824 1.00 74.21 S ATOM 8 CE MET A 1 -3.216 4.319 -9.299 1.00 74.05 C ATOM 0 H1 MET A 1 -0.539 4.717 -4.598 1.00 15.44 H new ATOM 0 H2 MET A 1 -0.150 3.702 -3.293 1.00 15.44 H new ATOM 0 H3 MET A 1 0.937 3.878 -4.586 1.00 15.44 H new ATOM 0 HA MET A 1 -1.745 2.670 -4.697 1.00 3.31 H new ATOM 0 HB2 MET A 1 0.367 3.242 -6.793 1.00 63.25 H new ATOM 0 HB3 MET A 1 -0.795 1.948 -7.013 1.00 63.25 H new ATOM 0 HG2 MET A 1 -2.656 3.551 -6.829 1.00 72.34 H new ATOM 0 HG3 MET A 1 -1.527 4.856 -6.524 1.00 72.34 H new ATOM 0 HE1 MET A 1 -3.285 4.493 -10.373 1.00 74.05 H new ATOM 0 HE2 MET A 1 -3.734 3.393 -9.048 1.00 74.05 H new ATOM 0 HE3 MET A 1 -3.679 5.150 -8.766 1.00 74.05 H new ATOM 18 N SER A 2 -0.485 0.805 -3.521 1.00 74.23 N ATOM 19 CA SER A 2 0.071 -0.456 -3.045 1.00 34.35 C ATOM 20 C SER A 2 -1.033 -1.385 -2.550 1.00 3.11 C ATOM 21 O SER A 2 -2.161 -0.954 -2.310 1.00 53.21 O ATOM 22 CB SER A 2 1.080 -0.202 -1.922 1.00 53.05 C ATOM 23 OG SER A 2 2.069 0.728 -2.327 1.00 72.31 O ATOM 0 H SER A 2 -1.234 1.181 -2.940 1.00 74.23 H new ATOM 0 HA SER A 2 0.580 -0.937 -3.880 1.00 34.35 H new ATOM 0 HB2 SER A 2 0.561 0.175 -1.041 1.00 53.05 H new ATOM 0 HB3 SER A 2 1.554 -1.141 -1.636 1.00 53.05 H new ATOM 0 HG SER A 2 2.701 0.875 -1.592 1.00 72.31 H new ATOM 29 N SER A 3 -0.700 -2.663 -2.402 1.00 72.01 N ATOM 30 CA SER A 3 -1.664 -3.656 -1.942 1.00 24.41 C ATOM 31 C SER A 3 -2.885 -3.694 -2.855 1.00 2.44 C ATOM 32 O SER A 3 -4.007 -3.913 -2.401 1.00 21.24 O ATOM 33 CB SER A 3 -2.096 -3.349 -0.506 1.00 44.53 C ATOM 34 OG SER A 3 -1.012 -3.493 0.395 1.00 72.50 O ATOM 0 H SER A 3 0.230 -3.035 -2.594 1.00 72.01 H new ATOM 0 HA SER A 3 -1.183 -4.634 -1.969 1.00 24.41 H new ATOM 0 HB2 SER A 3 -2.487 -2.333 -0.450 1.00 44.53 H new ATOM 0 HB3 SER A 3 -2.906 -4.019 -0.216 1.00 44.53 H new ATOM 0 HG SER A 3 -1.314 -3.290 1.305 1.00 72.50 H new ATOM 40 N GLU A 4 -2.656 -3.477 -4.147 1.00 74.53 N ATOM 41 CA GLU A 4 -3.737 -3.485 -5.125 1.00 44.43 C ATOM 42 C GLU A 4 -4.323 -4.886 -5.277 1.00 72.00 C ATOM 43 O GLU A 4 -5.506 -5.047 -5.582 1.00 41.22 O ATOM 44 CB GLU A 4 -3.233 -2.982 -6.479 1.00 55.41 C ATOM 45 CG GLU A 4 -4.261 -3.096 -7.592 1.00 51.52 C ATOM 46 CD GLU A 4 -3.827 -2.391 -8.863 1.00 0.52 C ATOM 47 OE1 GLU A 4 -3.469 -1.197 -8.788 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -3.844 -3.035 -9.933 1.00 44.14 O ATOM 0 H GLU A 4 -1.733 -3.294 -4.540 1.00 74.53 H new ATOM 0 HA GLU A 4 -4.522 -2.818 -4.767 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -2.931 -1.939 -6.380 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -2.343 -3.546 -6.758 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -4.441 -4.149 -7.809 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -5.207 -2.674 -7.252 1.00 51.52 H new ATOM 55 N LEU A 5 -3.487 -5.897 -5.064 1.00 43.24 N ATOM 56 CA LEU A 5 -3.921 -7.284 -5.179 1.00 13.32 C ATOM 57 C LEU A 5 -5.144 -7.547 -4.306 1.00 63.44 C ATOM 58 O LEU A 5 -6.021 -8.331 -4.669 1.00 51.25 O ATOM 59 CB LEU A 5 -2.785 -8.229 -4.779 1.00 63.32 C ATOM 60 CG LEU A 5 -2.487 -8.325 -3.282 1.00 2.52 C ATOM 61 CD1 LEU A 5 -1.608 -9.530 -2.990 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.826 -7.047 -2.786 1.00 74.41 C ATOM 0 H LEU A 5 -2.506 -5.782 -4.811 1.00 43.24 H new ATOM 0 HA LEU A 5 -4.192 -7.468 -6.219 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -3.023 -9.227 -5.146 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.877 -7.910 -5.290 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.430 -8.451 -2.751 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -1.406 -9.582 -1.920 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -2.119 -10.439 -3.308 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -0.667 -9.434 -3.532 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.621 -7.134 -1.719 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.891 -6.889 -3.323 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -2.492 -6.202 -2.960 1.00 74.41 H new ATOM 74 N LEU A 6 -5.199 -6.883 -3.157 1.00 10.52 N ATOM 75 CA LEU A 6 -6.317 -7.041 -2.234 1.00 13.21 C ATOM 76 C LEU A 6 -7.623 -6.585 -2.877 1.00 51.12 C ATOM 77 O LEU A 6 -8.635 -7.282 -2.809 1.00 73.12 O ATOM 78 CB LEU A 6 -6.061 -6.246 -0.952 1.00 44.03 C ATOM 79 CG LEU A 6 -4.682 -6.423 -0.316 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.576 -5.609 0.964 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.407 -7.894 -0.039 1.00 22.10 C ATOM 0 H LEU A 6 -4.482 -6.230 -2.842 1.00 10.52 H new ATOM 0 HA LEU A 6 -6.406 -8.099 -1.987 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -6.205 -5.188 -1.170 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.816 -6.526 -0.218 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.931 -6.059 -1.017 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.588 -5.748 1.402 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -4.728 -4.554 0.738 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.336 -5.942 1.671 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -3.421 -8.001 0.414 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.163 -8.284 0.642 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -4.439 -8.453 -0.974 1.00 22.10 H new ATOM 93 N ASP A 7 -7.591 -5.413 -3.502 1.00 4.52 N ATOM 94 CA ASP A 7 -8.771 -4.866 -4.161 1.00 25.12 C ATOM 95 C ASP A 7 -9.099 -5.650 -5.428 1.00 33.21 C ATOM 96 O ASP A 7 -10.258 -5.732 -5.835 1.00 24.02 O ATOM 97 CB ASP A 7 -8.554 -3.391 -4.500 1.00 34.32 C ATOM 98 CG ASP A 7 -9.855 -2.620 -4.596 1.00 10.52 C ATOM 99 OD1 ASP A 7 -10.770 -3.087 -5.309 1.00 22.32 O1- ATOM 100 OD2 ASP A 7 -9.961 -1.552 -3.959 1.00 34.22 O ATOM 0 H ASP A 7 -6.761 -4.824 -3.566 1.00 4.52 H new ATOM 0 HA ASP A 7 -9.613 -4.953 -3.474 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.921 -2.936 -3.738 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -8.019 -3.314 -5.447 1.00 34.32 H new ATOM 105 N ALA A 8 -8.071 -6.222 -6.046 1.00 74.43 N ATOM 106 CA ALA A 8 -8.251 -7.001 -7.265 1.00 44.45 C ATOM 107 C ALA A 8 -9.279 -8.109 -7.064 1.00 72.11 C ATOM 108 O ALA A 8 -10.151 -8.323 -7.906 1.00 71.43 O ATOM 109 CB ALA A 8 -6.921 -7.586 -7.718 1.00 72.11 C ATOM 0 H ALA A 8 -7.105 -6.161 -5.723 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.625 -6.333 -8.041 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -7.070 -8.165 -8.629 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -6.216 -6.778 -7.913 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.524 -8.234 -6.937 1.00 72.11 H new ATOM 115 N LEU A 9 -9.170 -8.812 -5.942 1.00 65.10 N ATOM 116 CA LEU A 9 -10.090 -9.900 -5.629 1.00 30.43 C ATOM 117 C LEU A 9 -11.510 -9.377 -5.440 1.00 2.51 C ATOM 118 O LEU A 9 -12.463 -9.918 -6.000 1.00 14.11 O ATOM 119 CB LEU A 9 -9.633 -10.634 -4.367 1.00 54.45 C ATOM 120 CG LEU A 9 -8.160 -11.043 -4.324 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.683 -11.172 -2.887 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.947 -12.349 -5.078 1.00 32.24 C ATOM 0 H LEU A 9 -8.454 -8.648 -5.234 1.00 65.10 H new ATOM 0 HA LEU A 9 -10.088 -10.596 -6.468 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.838 -9.997 -3.506 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -10.242 -11.531 -4.252 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.573 -10.265 -4.811 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.633 -11.464 -2.877 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.799 -10.215 -2.378 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -8.275 -11.930 -2.374 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.893 -12.625 -5.037 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -8.546 -13.136 -4.620 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -8.249 -12.222 -6.118 1.00 32.24 H new ATOM 134 N THR A 10 -11.643 -8.316 -4.649 1.00 42.42 N ATOM 135 CA THR A 10 -12.946 -7.718 -4.387 1.00 45.22 C ATOM 136 C THR A 10 -13.680 -7.409 -5.686 1.00 33.22 C ATOM 137 O THR A 10 -14.880 -7.659 -5.807 1.00 71.53 O ATOM 138 CB THR A 10 -12.813 -6.421 -3.566 1.00 10.42 C ATOM 139 OG1 THR A 10 -12.183 -6.699 -2.310 1.00 72.25 O ATOM 140 CG2 THR A 10 -14.177 -5.791 -3.325 1.00 62.04 C ATOM 0 H THR A 10 -10.864 -7.854 -4.179 1.00 42.42 H new ATOM 0 HA THR A 10 -13.519 -8.447 -3.813 1.00 45.22 H new ATOM 0 HB THR A 10 -12.201 -5.720 -4.133 1.00 10.42 H new ATOM 0 HG1 THR A 10 -12.100 -5.869 -1.795 1.00 72.25 H new ATOM 0 HG21 THR A 10 -14.058 -4.877 -2.743 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.643 -5.554 -4.282 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.809 -6.490 -2.777 1.00 62.04 H new ATOM 148 N ILE A 11 -12.954 -6.866 -6.657 1.00 32.10 N ATOM 149 CA ILE A 11 -13.537 -6.525 -7.949 1.00 21.23 C ATOM 150 C ILE A 11 -14.241 -7.727 -8.567 1.00 62.33 C ATOM 151 O ILE A 11 -15.288 -7.589 -9.202 1.00 65.32 O ATOM 152 CB ILE A 11 -12.469 -6.008 -8.930 1.00 71.24 C ATOM 153 CG1 ILE A 11 -11.790 -4.758 -8.367 1.00 53.43 C ATOM 154 CG2 ILE A 11 -13.094 -5.714 -10.286 1.00 64.41 C ATOM 155 CD1 ILE A 11 -10.360 -4.587 -8.832 1.00 14.01 C ATOM 0 H ILE A 11 -11.960 -6.652 -6.574 1.00 32.10 H new ATOM 0 HA ILE A 11 -14.265 -5.734 -7.769 1.00 21.23 H new ATOM 0 HB ILE A 11 -11.712 -6.781 -9.061 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -12.366 -3.879 -8.658 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -11.807 -4.804 -7.278 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -12.327 -5.349 -10.969 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -13.535 -6.626 -10.689 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -13.869 -4.956 -10.173 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -9.941 -3.681 -8.394 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.770 -5.448 -8.518 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -10.338 -4.509 -9.919 1.00 14.01 H new ATOM 167 N LEU A 12 -13.663 -8.908 -8.377 1.00 75.15 N ATOM 168 CA LEU A 12 -14.236 -10.137 -8.915 1.00 35.45 C ATOM 169 C LEU A 12 -15.489 -10.537 -8.143 1.00 52.41 C ATOM 170 O LEU A 12 -16.376 -11.199 -8.681 1.00 23.30 O ATOM 171 CB LEU A 12 -13.208 -11.268 -8.861 1.00 52.11 C ATOM 172 CG LEU A 12 -11.770 -10.885 -9.212 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.854 -12.094 -9.100 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.702 -10.291 -10.610 1.00 60.44 C ATOM 0 H LEU A 12 -12.797 -9.041 -7.854 1.00 75.15 H new ATOM 0 HA LEU A 12 -14.514 -9.955 -9.953 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -13.215 -11.691 -7.856 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -13.529 -12.057 -9.541 1.00 52.11 H new ATOM 0 HG LEU A 12 -11.432 -10.130 -8.502 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.835 -11.803 -9.353 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.879 -12.476 -8.080 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -11.191 -12.871 -9.787 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -10.671 -10.024 -10.842 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -12.060 -11.023 -11.334 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -12.327 -9.399 -10.657 1.00 60.44 H new ATOM 186 N GLU A 13 -15.557 -10.127 -6.881 1.00 2.20 N ATOM 187 CA GLU A 13 -16.703 -10.441 -6.036 1.00 73.44 C ATOM 188 C GLU A 13 -17.978 -9.811 -6.591 1.00 24.32 C ATOM 189 O GLU A 13 -19.079 -10.319 -6.379 1.00 32.15 O ATOM 190 CB GLU A 13 -16.461 -9.953 -4.606 1.00 53.14 C ATOM 191 CG GLU A 13 -17.268 -10.705 -3.561 1.00 32.32 C ATOM 192 CD GLU A 13 -17.093 -10.134 -2.167 1.00 22.03 C ATOM 193 OE1 GLU A 13 -16.002 -10.312 -1.586 1.00 34.44 O1- ATOM 194 OE2 GLU A 13 -18.047 -9.510 -1.658 1.00 5.24 O ATOM 0 H GLU A 13 -14.832 -9.577 -6.421 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.828 -11.524 -6.026 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -15.401 -10.050 -4.373 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -16.705 -8.892 -4.547 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -18.323 -10.675 -3.832 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -16.968 -11.753 -3.561 1.00 32.32 H new ATOM 201 N LYS A 14 -17.819 -8.701 -7.304 1.00 41.41 N ATOM 202 CA LYS A 14 -18.955 -8.000 -7.891 1.00 53.15 C ATOM 203 C LYS A 14 -19.828 -8.958 -8.695 1.00 32.03 C ATOM 204 O LYS A 14 -20.976 -9.216 -8.334 1.00 33.02 O ATOM 205 CB LYS A 14 -18.468 -6.860 -8.789 1.00 52.04 C ATOM 206 CG LYS A 14 -19.502 -5.767 -9.000 1.00 23.23 C ATOM 207 CD LYS A 14 -19.422 -4.708 -7.914 1.00 74.34 C ATOM 208 CE LYS A 14 -20.006 -3.384 -8.383 1.00 0.54 C ATOM 209 NZ LYS A 14 -19.829 -2.308 -7.370 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.914 -8.268 -7.489 1.00 41.41 H new ATOM 0 HA LYS A 14 -19.553 -7.585 -7.080 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -17.572 -6.421 -8.351 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -18.181 -7.269 -9.758 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -19.349 -5.303 -9.974 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -20.500 -6.206 -9.009 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -19.959 -5.051 -7.030 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -18.382 -4.565 -7.620 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -19.527 -3.086 -9.316 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -21.067 -3.511 -8.596 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -20.240 -1.423 -7.728 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -20.308 -2.580 -6.488 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -18.815 -2.169 -7.185 1.00 44.11 H new ATOM 223 N GLU A 15 -19.276 -9.480 -9.786 1.00 31.13 N ATOM 224 CA GLU A 15 -20.006 -10.410 -10.640 1.00 10.21 C ATOM 225 C GLU A 15 -20.423 -11.654 -9.860 1.00 74.31 C ATOM 226 O GLU A 15 -19.655 -12.181 -9.054 1.00 23.34 O ATOM 227 CB GLU A 15 -19.150 -10.811 -11.843 1.00 45.25 C ATOM 228 CG GLU A 15 -19.661 -12.046 -12.568 1.00 55.15 C ATOM 229 CD GLU A 15 -21.106 -11.910 -13.006 1.00 24.20 C ATOM 230 OE1 GLU A 15 -21.605 -10.767 -13.058 1.00 1.53 O ATOM 231 OE2 GLU A 15 -21.737 -12.948 -13.297 1.00 50.25 O1- ATOM 0 H GLU A 15 -18.327 -9.275 -10.099 1.00 31.13 H new ATOM 0 HA GLU A 15 -20.906 -9.907 -10.995 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -19.111 -9.978 -12.545 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -18.129 -10.993 -11.508 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -19.037 -12.234 -13.442 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -19.564 -12.913 -11.914 1.00 55.15 H new ATOM 238 N LYS A 16 -21.644 -12.117 -10.105 1.00 54.02 N ATOM 239 CA LYS A 16 -22.163 -13.298 -9.427 1.00 15.32 C ATOM 240 C LYS A 16 -21.609 -14.574 -10.054 1.00 60.10 C ATOM 241 O LYS A 16 -21.126 -14.562 -11.185 1.00 20.10 O ATOM 242 CB LYS A 16 -23.693 -13.313 -9.485 1.00 20.41 C ATOM 243 CG LYS A 16 -24.333 -14.211 -8.441 1.00 32.52 C ATOM 244 CD LYS A 16 -23.994 -13.756 -7.032 1.00 20.11 C ATOM 245 CE LYS A 16 -23.225 -14.825 -6.271 1.00 73.12 C ATOM 246 NZ LYS A 16 -23.607 -14.866 -4.832 1.00 30.23 N1+ ATOM 0 H LYS A 16 -22.292 -11.692 -10.768 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.844 -13.257 -8.386 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -24.063 -12.296 -9.353 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -24.007 -13.641 -10.476 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -25.415 -14.211 -8.574 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -23.994 -15.237 -8.585 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -23.402 -12.842 -7.076 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -24.912 -13.515 -6.496 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -23.412 -15.799 -6.724 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -22.155 -14.633 -6.357 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -23.061 -15.607 -4.349 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -23.405 -13.945 -4.393 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -24.623 -15.074 -4.748 1.00 30.23 H new ATOM 260 N GLY A 17 -21.682 -15.674 -9.310 1.00 53.14 N ATOM 261 CA GLY A 17 -21.184 -16.942 -9.811 1.00 1.24 C ATOM 262 C GLY A 17 -19.670 -16.991 -9.861 1.00 24.31 C ATOM 263 O GLY A 17 -19.092 -17.561 -10.787 1.00 30.33 O ATOM 0 H GLY A 17 -22.077 -15.710 -8.370 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -21.550 -17.749 -9.176 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -21.583 -17.117 -10.810 1.00 1.24 H new ATOM 267 N ILE A 18 -19.027 -16.393 -8.864 1.00 51.44 N ATOM 268 CA ILE A 18 -17.571 -16.371 -8.799 1.00 32.50 C ATOM 269 C ILE A 18 -17.084 -16.459 -7.356 1.00 3.32 C ATOM 270 O ILE A 18 -17.643 -15.825 -6.462 1.00 25.41 O ATOM 271 CB ILE A 18 -16.998 -15.096 -9.445 1.00 45.15 C ATOM 272 CG1 ILE A 18 -17.639 -14.860 -10.814 1.00 2.33 C ATOM 273 CG2 ILE A 18 -15.486 -15.201 -9.573 1.00 34.32 C ATOM 274 CD1 ILE A 18 -17.122 -13.624 -11.518 1.00 3.12 C ATOM 0 H ILE A 18 -19.491 -15.917 -8.090 1.00 51.44 H new ATOM 0 HA ILE A 18 -17.217 -17.240 -9.353 1.00 32.50 H new ATOM 0 HB ILE A 18 -17.230 -14.245 -8.804 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -17.459 -15.730 -11.445 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -18.719 -14.773 -10.691 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -15.096 -14.292 -10.031 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -15.045 -15.327 -8.584 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -15.232 -16.059 -10.195 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -17.620 -13.519 -12.482 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -17.326 -12.745 -10.907 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -16.047 -13.716 -11.673 1.00 3.12 H new ATOM 286 N SER A 19 -16.039 -17.250 -7.138 1.00 72.20 N ATOM 287 CA SER A 19 -15.476 -17.424 -5.804 1.00 5.03 C ATOM 288 C SER A 19 -14.034 -16.929 -5.754 1.00 10.11 C ATOM 289 O SER A 19 -13.129 -17.559 -6.301 1.00 55.41 O ATOM 290 CB SER A 19 -15.537 -18.894 -5.388 1.00 70.31 C ATOM 291 OG SER A 19 -16.878 -19.345 -5.300 1.00 12.11 O ATOM 0 H SER A 19 -15.565 -17.781 -7.868 1.00 72.20 H new ATOM 0 HA SER A 19 -16.070 -16.832 -5.107 1.00 5.03 H new ATOM 0 HB2 SER A 19 -14.992 -19.502 -6.110 1.00 70.31 H new ATOM 0 HB3 SER A 19 -15.043 -19.023 -4.425 1.00 70.31 H new ATOM 0 HG SER A 19 -16.889 -20.288 -5.034 1.00 12.11 H new ATOM 297 N LYS A 20 -13.827 -15.796 -5.091 1.00 21.45 N ATOM 298 CA LYS A 20 -12.495 -15.215 -4.966 1.00 74.43 C ATOM 299 C LYS A 20 -11.616 -16.061 -4.052 1.00 44.01 C ATOM 300 O LYS A 20 -10.390 -15.972 -4.099 1.00 62.25 O ATOM 301 CB LYS A 20 -12.588 -13.787 -4.422 1.00 25.14 C ATOM 302 CG LYS A 20 -13.195 -13.703 -3.032 1.00 31.04 C ATOM 303 CD LYS A 20 -12.195 -13.172 -2.019 1.00 45.33 C ATOM 304 CE LYS A 20 -12.185 -11.652 -1.991 1.00 73.32 C ATOM 305 NZ LYS A 20 -12.989 -11.112 -0.860 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.565 -15.262 -4.632 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.042 -15.192 -5.957 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.590 -13.350 -4.400 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -13.185 -13.185 -5.107 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -14.071 -13.054 -3.055 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -13.538 -14.691 -2.723 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.441 -13.554 -1.028 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -11.198 -13.539 -2.263 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -11.158 -11.297 -1.908 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -12.579 -11.269 -2.932 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -12.599 -10.195 -0.563 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -13.976 -10.986 -1.164 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -12.955 -11.777 -0.061 1.00 24.23 H new ATOM 319 N GLU A 21 -12.251 -16.883 -3.222 1.00 64.52 N ATOM 320 CA GLU A 21 -11.524 -17.746 -2.297 1.00 11.33 C ATOM 321 C GLU A 21 -10.493 -18.592 -3.039 1.00 34.03 C ATOM 322 O GLU A 21 -9.392 -18.825 -2.541 1.00 42.53 O ATOM 323 CB GLU A 21 -12.497 -18.654 -1.541 1.00 34.13 C ATOM 324 CG GLU A 21 -13.668 -17.910 -0.923 1.00 74.01 C ATOM 325 CD GLU A 21 -14.240 -18.624 0.286 1.00 20.11 C ATOM 326 OE1 GLU A 21 -14.958 -19.629 0.096 1.00 12.41 O ATOM 327 OE2 GLU A 21 -13.973 -18.179 1.421 1.00 42.41 O1- ATOM 0 H GLU A 21 -13.266 -16.970 -3.171 1.00 64.52 H new ATOM 0 HA GLU A 21 -11.001 -17.111 -1.582 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -12.879 -19.412 -2.225 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -11.955 -19.179 -0.754 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -13.345 -16.911 -0.631 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -14.451 -17.786 -1.671 1.00 74.01 H new ATOM 334 N ILE A 22 -10.860 -19.049 -4.232 1.00 11.12 N ATOM 335 CA ILE A 22 -9.968 -19.867 -5.043 1.00 52.11 C ATOM 336 C ILE A 22 -8.912 -19.012 -5.735 1.00 5.14 C ATOM 337 O ILE A 22 -7.830 -19.493 -6.072 1.00 62.02 O ATOM 338 CB ILE A 22 -10.745 -20.663 -6.107 1.00 23.14 C ATOM 339 CG1 ILE A 22 -11.760 -21.594 -5.439 1.00 11.11 C ATOM 340 CG2 ILE A 22 -9.786 -21.457 -6.982 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.085 -20.929 -5.138 1.00 40.42 C ATOM 0 H ILE A 22 -11.769 -18.866 -4.658 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.478 -20.565 -4.364 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.286 -19.960 -6.741 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -11.933 -22.454 -6.087 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -11.335 -21.975 -4.510 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -10.351 -22.014 -7.729 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.099 -20.774 -7.482 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.219 -22.152 -6.363 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -13.754 -21.648 -4.666 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -12.925 -20.086 -4.465 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.532 -20.573 -6.066 1.00 40.42 H new ATOM 353 N ILE A 23 -9.234 -17.740 -5.943 1.00 13.43 N ATOM 354 CA ILE A 23 -8.312 -16.816 -6.594 1.00 72.34 C ATOM 355 C ILE A 23 -7.049 -16.623 -5.762 1.00 55.40 C ATOM 356 O ILE A 23 -5.939 -16.608 -6.295 1.00 31.34 O ATOM 357 CB ILE A 23 -8.968 -15.443 -6.834 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.207 -15.594 -7.719 1.00 1.43 C ATOM 359 CG2 ILE A 23 -7.971 -14.484 -7.468 1.00 41.41 C ATOM 360 CD1 ILE A 23 -9.892 -16.044 -9.128 1.00 34.01 C ATOM 0 H ILE A 23 -10.125 -17.325 -5.671 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.048 -17.258 -7.555 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.278 -15.031 -5.874 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -10.886 -16.313 -7.260 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.733 -14.640 -7.760 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.449 -13.518 -7.632 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.115 -14.358 -6.805 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.634 -14.888 -8.422 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -10.817 -16.130 -9.698 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.238 -15.314 -9.605 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.394 -17.013 -9.098 1.00 34.01 H new ATOM 372 N ILE A 24 -7.225 -16.481 -4.452 1.00 51.31 N ATOM 373 CA ILE A 24 -6.099 -16.294 -3.546 1.00 74.21 C ATOM 374 C ILE A 24 -5.047 -17.379 -3.746 1.00 44.54 C ATOM 375 O ILE A 24 -3.847 -17.109 -3.702 1.00 32.23 O ATOM 376 CB ILE A 24 -6.553 -16.298 -2.075 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.502 -15.129 -1.808 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.348 -16.232 -1.149 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.944 -15.551 -1.625 1.00 31.23 C ATOM 0 H ILE A 24 -8.137 -16.492 -3.995 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.664 -15.322 -3.780 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.088 -17.227 -1.878 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -7.171 -14.599 -0.915 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.440 -14.425 -2.638 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.685 -16.236 -0.112 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.706 -17.095 -1.325 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.788 -15.318 -1.345 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.560 -14.671 -1.439 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.293 -16.055 -2.527 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -9.019 -16.232 -0.777 1.00 31.23 H new ATOM 391 N GLU A 25 -5.506 -18.607 -3.967 1.00 72.53 N ATOM 392 CA GLU A 25 -4.602 -19.734 -4.174 1.00 43.13 C ATOM 393 C GLU A 25 -3.886 -19.617 -5.515 1.00 2.50 C ATOM 394 O GLU A 25 -2.768 -20.104 -5.678 1.00 34.42 O ATOM 395 CB GLU A 25 -5.374 -21.053 -4.108 1.00 73.04 C ATOM 396 CG GLU A 25 -6.089 -21.276 -2.786 1.00 44.41 C ATOM 397 CD GLU A 25 -6.605 -22.694 -2.633 1.00 73.01 C ATOM 398 OE1 GLU A 25 -5.775 -23.627 -2.609 1.00 21.12 O1- ATOM 399 OE2 GLU A 25 -7.837 -22.871 -2.538 1.00 32.20 O ATOM 0 H GLU A 25 -6.497 -18.847 -4.007 1.00 72.53 H new ATOM 0 HA GLU A 25 -3.855 -19.719 -3.381 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.106 -21.076 -4.915 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -4.683 -21.878 -4.281 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -5.407 -21.051 -1.966 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -6.923 -20.579 -2.707 1.00 44.41 H new ATOM 406 N ALA A 26 -4.539 -18.967 -6.474 1.00 1.41 N ATOM 407 CA ALA A 26 -3.965 -18.785 -7.801 1.00 44.13 C ATOM 408 C ALA A 26 -2.678 -17.971 -7.735 1.00 13.13 C ATOM 409 O ALA A 26 -1.650 -18.370 -8.285 1.00 24.00 O ATOM 410 CB ALA A 26 -4.971 -18.112 -8.723 1.00 14.40 C ATOM 0 H ALA A 26 -5.466 -18.558 -6.356 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.722 -19.769 -8.203 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.529 -17.982 -9.711 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -5.863 -18.733 -8.803 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.243 -17.138 -8.316 1.00 14.40 H new ATOM 416 N ILE A 27 -2.739 -16.829 -7.060 1.00 44.10 N ATOM 417 CA ILE A 27 -1.578 -15.959 -6.923 1.00 13.45 C ATOM 418 C ILE A 27 -0.389 -16.717 -6.343 1.00 13.44 C ATOM 419 O ILE A 27 0.701 -16.711 -6.913 1.00 54.42 O ATOM 420 CB ILE A 27 -1.885 -14.747 -6.024 1.00 20.00 C ATOM 421 CG1 ILE A 27 -2.969 -13.874 -6.661 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.622 -13.936 -5.776 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.364 -14.186 -6.167 1.00 74.33 C ATOM 0 H ILE A 27 -3.581 -16.484 -6.599 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.329 -15.606 -7.924 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.253 -15.110 -5.064 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.746 -12.826 -6.458 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -2.938 -14.002 -7.743 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -0.856 -13.083 -5.139 1.00 13.51 H new ATOM 0 HG22 ILE A 27 0.122 -14.563 -5.284 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.225 -13.580 -6.727 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.080 -13.529 -6.661 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.607 -15.224 -6.394 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.412 -14.030 -5.089 1.00 74.33 H new ATOM 435 N GLU A 28 -0.607 -17.372 -5.207 1.00 54.21 N ATOM 436 CA GLU A 28 0.446 -18.137 -4.551 1.00 54.51 C ATOM 437 C GLU A 28 1.056 -19.157 -5.511 1.00 43.41 C ATOM 438 O GLU A 28 2.271 -19.197 -5.701 1.00 43.02 O ATOM 439 CB GLU A 28 -0.104 -18.850 -3.315 1.00 64.12 C ATOM 440 CG GLU A 28 -0.764 -17.914 -2.316 1.00 40.22 C ATOM 441 CD GLU A 28 -1.817 -18.609 -1.474 1.00 51.43 C ATOM 442 OE1 GLU A 28 -1.562 -19.746 -1.023 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -2.896 -18.015 -1.265 1.00 63.03 O ATOM 0 H GLU A 28 -1.504 -17.388 -4.722 1.00 54.21 H new ATOM 0 HA GLU A 28 1.226 -17.441 -4.242 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -0.829 -19.600 -3.631 1.00 64.12 H new ATOM 0 HB3 GLU A 28 0.709 -19.381 -2.820 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -0.002 -17.491 -1.662 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.222 -17.082 -2.851 1.00 40.22 H new ATOM 450 N ALA A 29 0.202 -19.978 -6.111 1.00 30.04 N ATOM 451 CA ALA A 29 0.655 -20.997 -7.052 1.00 12.54 C ATOM 452 C ALA A 29 1.531 -20.388 -8.141 1.00 13.03 C ATOM 453 O ALA A 29 2.425 -21.045 -8.671 1.00 61.31 O ATOM 454 CB ALA A 29 -0.537 -21.713 -7.669 1.00 31.13 C ATOM 0 H ALA A 29 -0.807 -19.959 -5.963 1.00 30.04 H new ATOM 0 HA ALA A 29 1.256 -21.722 -6.503 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.184 -22.470 -8.369 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.122 -22.190 -6.883 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.160 -20.992 -8.198 1.00 31.13 H new ATOM 460 N ALA A 30 1.268 -19.127 -8.469 1.00 53.23 N ATOM 461 CA ALA A 30 2.034 -18.428 -9.494 1.00 23.45 C ATOM 462 C ALA A 30 3.413 -18.038 -8.978 1.00 61.02 C ATOM 463 O ALA A 30 4.432 -18.383 -9.577 1.00 51.44 O ATOM 464 CB ALA A 30 1.277 -17.198 -9.971 1.00 32.41 C ATOM 0 H ALA A 30 0.530 -18.569 -8.040 1.00 53.23 H new ATOM 0 HA ALA A 30 2.170 -19.106 -10.337 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.860 -16.686 -10.736 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.317 -17.501 -10.389 1.00 32.41 H new ATOM 0 HB3 ALA A 30 1.110 -16.525 -9.130 1.00 32.41 H new ATOM 470 N LEU A 31 3.440 -17.315 -7.864 1.00 5.35 N ATOM 471 CA LEU A 31 4.695 -16.875 -7.266 1.00 1.23 C ATOM 472 C LEU A 31 5.620 -18.061 -7.007 1.00 21.11 C ATOM 473 O LEU A 31 6.784 -18.051 -7.408 1.00 34.51 O ATOM 474 CB LEU A 31 4.427 -16.128 -5.957 1.00 45.33 C ATOM 475 CG LEU A 31 4.000 -14.667 -6.095 1.00 33.31 C ATOM 476 CD1 LEU A 31 2.484 -14.558 -6.155 1.00 53.12 C ATOM 477 CD2 LEU A 31 4.551 -13.839 -4.943 1.00 43.31 C ATOM 0 H LEU A 31 2.606 -17.021 -7.356 1.00 5.35 H new ATOM 0 HA LEU A 31 5.186 -16.200 -7.968 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.651 -16.662 -5.409 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.331 -16.166 -5.349 1.00 45.33 H new ATOM 0 HG LEU A 31 4.409 -14.275 -7.026 1.00 33.31 H new ATOM 0 HD11 LEU A 31 2.198 -13.511 -6.253 1.00 53.12 H new ATOM 0 HD12 LEU A 31 2.113 -15.118 -7.014 1.00 53.12 H new ATOM 0 HD13 LEU A 31 2.053 -14.967 -5.241 1.00 53.12 H new ATOM 0 HD21 LEU A 31 4.237 -12.802 -5.058 1.00 43.31 H new ATOM 0 HD22 LEU A 31 4.171 -14.231 -3.999 1.00 43.31 H new ATOM 0 HD23 LEU A 31 5.640 -13.891 -4.946 1.00 43.31 H new ATOM 489 N ILE A 32 5.092 -19.080 -6.338 1.00 24.45 N ATOM 490 CA ILE A 32 5.870 -20.275 -6.029 1.00 71.03 C ATOM 491 C ILE A 32 6.392 -20.934 -7.301 1.00 24.23 C ATOM 492 O ILE A 32 7.530 -21.402 -7.348 1.00 63.05 O ATOM 493 CB ILE A 32 5.036 -21.299 -5.238 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.864 -22.555 -4.959 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.767 -21.652 -6.000 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.447 -23.286 -3.702 1.00 4.22 C ATOM 0 H ILE A 32 4.130 -19.103 -6.000 1.00 24.45 H new ATOM 0 HA ILE A 32 6.713 -19.955 -5.417 1.00 71.03 H new ATOM 0 HB ILE A 32 4.751 -20.855 -4.284 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.779 -23.232 -5.809 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.915 -22.277 -4.876 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.189 -22.377 -5.427 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.172 -20.752 -6.152 1.00 41.15 H new ATOM 0 HG23 ILE A 32 4.031 -22.081 -6.967 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.076 -24.166 -3.567 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.558 -22.625 -2.843 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.405 -23.595 -3.789 1.00 4.22 H new ATOM 508 N SER A 33 5.553 -20.966 -8.332 1.00 23.51 N ATOM 509 CA SER A 33 5.929 -21.570 -9.604 1.00 62.33 C ATOM 510 C SER A 33 7.049 -20.778 -10.272 1.00 1.44 C ATOM 511 O SER A 33 8.011 -21.351 -10.782 1.00 2.10 O ATOM 512 CB SER A 33 4.717 -21.645 -10.535 1.00 3.21 C ATOM 513 OG SER A 33 5.114 -21.587 -11.894 1.00 24.42 O ATOM 0 H SER A 33 4.609 -20.581 -8.311 1.00 23.51 H new ATOM 0 HA SER A 33 6.290 -22.579 -9.406 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.170 -22.570 -10.352 1.00 3.21 H new ATOM 0 HB3 SER A 33 4.035 -20.823 -10.317 1.00 3.21 H new ATOM 0 HG SER A 33 4.322 -21.638 -12.469 1.00 24.42 H new ATOM 519 N ALA A 34 6.914 -19.456 -10.267 1.00 22.53 N ATOM 520 CA ALA A 34 7.914 -18.583 -10.869 1.00 1.34 C ATOM 521 C ALA A 34 9.289 -18.814 -10.251 1.00 52.14 C ATOM 522 O ALA A 34 10.275 -19.008 -10.960 1.00 62.24 O ATOM 523 CB ALA A 34 7.503 -17.126 -10.719 1.00 23.24 C ATOM 0 H ALA A 34 6.121 -18.966 -9.852 1.00 22.53 H new ATOM 0 HA ALA A 34 7.977 -18.823 -11.930 1.00 1.34 H new ATOM 0 HB1 ALA A 34 8.259 -16.486 -11.173 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.546 -16.965 -11.215 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.409 -16.882 -9.661 1.00 23.24 H new ATOM 529 N TYR A 35 9.346 -18.790 -8.923 1.00 60.44 N ATOM 530 CA TYR A 35 10.600 -18.993 -8.209 1.00 42.44 C ATOM 531 C TYR A 35 11.074 -20.439 -8.339 1.00 40.45 C ATOM 532 O TYR A 35 12.273 -20.716 -8.315 1.00 13.24 O ATOM 533 CB TYR A 35 10.436 -18.631 -6.732 1.00 14.41 C ATOM 534 CG TYR A 35 11.590 -19.081 -5.865 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.599 -20.345 -5.288 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.671 -18.242 -5.624 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.652 -20.760 -4.495 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.728 -18.650 -4.833 1.00 13.02 C ATOM 539 CZ TYR A 35 13.713 -19.909 -4.270 1.00 1.20 C ATOM 540 OH TYR A 35 14.764 -20.319 -3.482 1.00 72.42 O ATOM 0 H TYR A 35 8.538 -18.632 -8.321 1.00 60.44 H new ATOM 0 HA TYR A 35 11.351 -18.341 -8.655 1.00 42.44 H new ATOM 0 HB2 TYR A 35 10.325 -17.550 -6.642 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.515 -19.078 -6.357 1.00 14.41 H new ATOM 0 HD1 TYR A 35 10.769 -21.014 -5.462 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.685 -17.255 -6.062 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.644 -21.746 -4.054 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.562 -17.986 -4.657 1.00 13.02 H new ATOM 0 HH TYR A 35 15.429 -19.602 -3.425 1.00 72.42 H new ATOM 550 N LYS A 36 10.123 -21.355 -8.478 1.00 5.13 N ATOM 551 CA LYS A 36 10.439 -22.772 -8.615 1.00 11.15 C ATOM 552 C LYS A 36 11.151 -23.045 -9.935 1.00 32.14 C ATOM 553 O LYS A 36 12.016 -23.918 -10.016 1.00 62.43 O ATOM 554 CB LYS A 36 9.162 -23.611 -8.528 1.00 64.34 C ATOM 555 CG LYS A 36 8.899 -24.177 -7.143 1.00 20.30 C ATOM 556 CD LYS A 36 7.699 -25.109 -7.140 1.00 1.42 C ATOM 557 CE LYS A 36 7.451 -25.694 -5.758 1.00 45.53 C ATOM 558 NZ LYS A 36 7.272 -27.172 -5.805 1.00 21.13 N1+ ATOM 0 H LYS A 36 9.126 -21.142 -8.499 1.00 5.13 H new ATOM 0 HA LYS A 36 11.106 -23.051 -7.799 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.313 -22.997 -8.828 1.00 64.34 H new ATOM 0 HB3 LYS A 36 9.228 -24.433 -9.241 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.780 -24.716 -6.796 1.00 20.30 H new ATOM 0 HG3 LYS A 36 8.728 -23.360 -6.442 1.00 20.30 H new ATOM 0 HD2 LYS A 36 6.814 -24.565 -7.470 1.00 1.42 H new ATOM 0 HD3 LYS A 36 7.862 -25.916 -7.854 1.00 1.42 H new ATOM 0 HE2 LYS A 36 8.289 -25.450 -5.105 1.00 45.53 H new ATOM 0 HE3 LYS A 36 6.564 -25.234 -5.323 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 7.105 -27.532 -4.844 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 6.457 -27.404 -6.408 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 8.129 -27.613 -6.196 1.00 21.13 H new ATOM 572 N ARG A 37 10.782 -22.295 -10.968 1.00 74.25 N ATOM 573 CA ARG A 37 11.386 -22.457 -12.285 1.00 53.51 C ATOM 574 C ARG A 37 12.902 -22.297 -12.211 1.00 13.30 C ATOM 575 O ARG A 37 13.630 -22.795 -13.068 1.00 74.35 O ATOM 576 CB ARG A 37 10.801 -21.439 -13.266 1.00 25.33 C ATOM 577 CG ARG A 37 9.482 -21.875 -13.882 1.00 1.44 C ATOM 578 CD ARG A 37 9.700 -22.674 -15.158 1.00 4.13 C ATOM 579 NE ARG A 37 9.963 -21.812 -16.306 1.00 22.22 N ATOM 580 CZ ARG A 37 9.950 -22.239 -17.564 1.00 71.43 C ATOM 581 NH1 ARG A 37 9.690 -23.512 -17.832 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 10.199 -21.394 -18.556 1.00 43.33 N ATOM 0 H ARG A 37 10.067 -21.569 -10.918 1.00 74.25 H new ATOM 0 HA ARG A 37 11.162 -23.463 -12.640 1.00 53.51 H new ATOM 0 HB2 ARG A 37 10.655 -20.491 -12.748 1.00 25.33 H new ATOM 0 HB3 ARG A 37 11.523 -21.259 -14.063 1.00 25.33 H new ATOM 0 HG2 ARG A 37 8.926 -22.478 -13.164 1.00 1.44 H new ATOM 0 HG3 ARG A 37 8.873 -20.997 -14.100 1.00 1.44 H new ATOM 0 HD2 ARG A 37 10.538 -23.358 -15.019 1.00 4.13 H new ATOM 0 HD3 ARG A 37 8.820 -23.285 -15.358 1.00 4.13 H new ATOM 0 HE ARG A 37 10.168 -20.828 -16.133 1.00 22.22 H new ATOM 0 HH11 ARG A 37 9.500 -24.165 -17.072 1.00 64.15 H new ATOM 0 HH12 ARG A 37 9.680 -23.838 -18.798 1.00 64.15 H new ATOM 0 HH21 ARG A 37 10.401 -20.415 -18.353 1.00 43.33 H new ATOM 0 HH22 ARG A 37 10.189 -21.723 -19.521 1.00 43.33 H new ATOM 596 N ASN A 38 13.368 -21.598 -11.182 1.00 64.14 N ATOM 597 CA ASN A 38 14.797 -21.371 -10.997 1.00 2.44 C ATOM 598 C ASN A 38 15.474 -22.610 -10.419 1.00 62.25 C ATOM 599 O ASN A 38 16.510 -23.053 -10.915 1.00 62.41 O ATOM 600 CB ASN A 38 15.029 -20.173 -10.075 1.00 14.03 C ATOM 601 CG ASN A 38 14.900 -18.849 -10.803 1.00 30.51 C ATOM 602 OD1 ASN A 38 15.863 -18.090 -10.910 1.00 23.41 O ATOM 603 ND2 ASN A 38 13.704 -18.566 -11.308 1.00 43.51 N ATOM 0 H ASN A 38 12.778 -21.179 -10.463 1.00 64.14 H new ATOM 0 HA ASN A 38 15.235 -21.161 -11.973 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.312 -20.205 -9.255 1.00 14.03 H new ATOM 0 HB3 ASN A 38 16.022 -20.246 -9.632 1.00 14.03 H new ATOM 0 HD21 ASN A 38 13.556 -17.690 -11.808 1.00 43.51 H new ATOM 0 HD22 ASN A 38 12.934 -19.225 -11.195 1.00 43.51 H new ATOM 610 N PHE A 39 14.881 -23.167 -9.369 1.00 74.50 N ATOM 611 CA PHE A 39 15.426 -24.354 -8.723 1.00 13.22 C ATOM 612 C PHE A 39 14.316 -25.336 -8.362 1.00 13.23 C ATOM 613 O PHE A 39 13.999 -25.529 -7.188 1.00 12.23 O ATOM 614 CB PHE A 39 16.206 -23.965 -7.465 1.00 22.33 C ATOM 615 CG PHE A 39 17.578 -23.425 -7.754 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.477 -24.153 -8.516 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.967 -22.189 -7.263 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.740 -23.659 -8.781 1.00 20.44 C ATOM 619 CE2 PHE A 39 19.229 -21.689 -7.526 1.00 73.20 C ATOM 620 CZ PHE A 39 20.115 -22.424 -8.288 1.00 41.30 C ATOM 0 H PHE A 39 14.022 -22.815 -8.947 1.00 74.50 H new ATOM 0 HA PHE A 39 16.103 -24.840 -9.426 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.639 -23.216 -6.912 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.296 -24.838 -6.819 1.00 22.33 H new ATOM 0 HD1 PHE A 39 18.188 -25.117 -8.907 1.00 54.30 H new ATOM 0 HD2 PHE A 39 17.277 -21.610 -6.668 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.433 -24.238 -9.373 1.00 20.44 H new ATOM 0 HE2 PHE A 39 19.521 -20.725 -7.136 1.00 73.20 H new ATOM 0 HZ PHE A 39 21.100 -22.034 -8.498 1.00 41.30 H new ATOM 630 N ASN A 40 13.725 -25.954 -9.380 1.00 5.11 N ATOM 631 CA ASN A 40 12.649 -26.915 -9.171 1.00 31.44 C ATOM 632 C ASN A 40 13.199 -28.250 -8.682 1.00 13.21 C ATOM 633 O ASN A 40 12.752 -28.780 -7.664 1.00 10.21 O ATOM 634 CB ASN A 40 11.861 -27.119 -10.468 1.00 21.11 C ATOM 635 CG ASN A 40 12.765 -27.356 -11.662 1.00 35.33 C ATOM 636 OD1 ASN A 40 13.385 -26.425 -12.178 1.00 34.12 O ATOM 637 ND2 ASN A 40 12.845 -28.604 -12.106 1.00 33.42 N ATOM 0 H ASN A 40 13.974 -25.806 -10.358 1.00 5.11 H new ATOM 0 HA ASN A 40 11.982 -26.516 -8.407 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.188 -27.968 -10.351 1.00 21.11 H new ATOM 0 HB3 ASN A 40 11.240 -26.243 -10.654 1.00 21.11 H new ATOM 0 HD21 ASN A 40 13.438 -28.824 -12.906 1.00 33.42 H new ATOM 0 HD22 ASN A 40 12.313 -29.344 -11.647 1.00 33.42 H new ATOM 644 N GLN A 41 14.170 -28.788 -9.411 1.00 42.41 N ATOM 645 CA GLN A 41 14.782 -30.061 -9.051 1.00 32.21 C ATOM 646 C GLN A 41 15.968 -29.851 -8.116 1.00 10.23 C ATOM 647 O GLN A 41 16.730 -30.779 -7.846 1.00 2.54 O ATOM 648 CB GLN A 41 15.233 -30.809 -10.306 1.00 24.30 C ATOM 649 CG GLN A 41 16.257 -30.047 -11.133 1.00 23.03 C ATOM 650 CD GLN A 41 17.370 -30.938 -11.648 1.00 60.23 C ATOM 651 OE1 GLN A 41 18.551 -30.655 -11.448 1.00 25.31 O ATOM 652 NE2 GLN A 41 16.998 -32.023 -12.317 1.00 53.52 N ATOM 0 H GLN A 41 14.551 -28.362 -10.256 1.00 42.41 H new ATOM 0 HA GLN A 41 14.034 -30.659 -8.530 1.00 32.21 H new ATOM 0 HB2 GLN A 41 15.657 -31.770 -10.014 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.362 -31.020 -10.926 1.00 24.30 H new ATOM 0 HG2 GLN A 41 15.756 -29.573 -11.977 1.00 23.03 H new ATOM 0 HG3 GLN A 41 16.686 -29.249 -10.527 1.00 23.03 H new ATOM 0 HE21 GLN A 41 16.007 -32.219 -12.460 1.00 53.52 H new ATOM 0 HE22 GLN A 41 17.703 -32.660 -12.688 1.00 53.52 H new ATOM 661 N ALA A 42 16.119 -28.624 -7.627 1.00 53.10 N ATOM 662 CA ALA A 42 17.212 -28.293 -6.721 1.00 45.11 C ATOM 663 C ALA A 42 16.741 -28.287 -5.271 1.00 30.22 C ATOM 664 O ALA A 42 17.472 -28.701 -4.371 1.00 53.42 O ATOM 665 CB ALA A 42 17.810 -26.943 -7.088 1.00 52.01 C ATOM 0 H ALA A 42 15.499 -27.844 -7.843 1.00 53.10 H new ATOM 0 HA ALA A 42 17.980 -29.060 -6.823 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.625 -26.708 -6.404 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.192 -26.979 -8.108 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.042 -26.173 -7.015 1.00 52.01 H new ATOM 671 N GLN A 43 15.517 -27.817 -5.052 1.00 44.33 N ATOM 672 CA GLN A 43 14.950 -27.758 -3.711 1.00 63.21 C ATOM 673 C GLN A 43 13.493 -27.308 -3.754 1.00 62.24 C ATOM 674 O GLN A 43 13.131 -26.418 -4.522 1.00 74.55 O ATOM 675 CB GLN A 43 15.764 -26.806 -2.831 1.00 72.12 C ATOM 676 CG GLN A 43 15.521 -26.995 -1.343 1.00 43.55 C ATOM 677 CD GLN A 43 15.727 -25.718 -0.552 1.00 74.41 C ATOM 678 OE1 GLN A 43 15.196 -25.683 0.665 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 16.356 -24.773 -1.029 1.00 50.05 N flip ATOM 0 H GLN A 43 14.899 -27.472 -5.787 1.00 44.33 H new ATOM 0 HA GLN A 43 14.989 -28.760 -3.284 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.824 -26.950 -3.039 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.523 -25.778 -3.102 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.504 -27.354 -1.187 1.00 43.55 H new ATOM 0 HG3 GLN A 43 16.193 -27.765 -0.964 1.00 43.55 H new ATOM 0 HE21 GLN A 43 16.747 -24.843 -1.968 1.00 50.05 H new ATOM 0 HE22 GLN A 43 16.486 -23.920 -0.485 1.00 50.05 H new ATOM 688 N ASN A 44 12.663 -27.931 -2.925 1.00 61.24 N ATOM 689 CA ASN A 44 11.244 -27.596 -2.870 1.00 5.03 C ATOM 690 C ASN A 44 11.031 -26.239 -2.207 1.00 45.14 C ATOM 691 O ASN A 44 11.988 -25.576 -1.802 1.00 15.42 O ATOM 692 CB ASN A 44 10.473 -28.675 -2.106 1.00 2.54 C ATOM 693 CG ASN A 44 10.454 -28.424 -0.611 1.00 33.50 C ATOM 694 OD1 ASN A 44 9.402 -28.480 0.027 1.00 53.44 O ATOM 695 ND2 ASN A 44 11.621 -28.145 -0.043 1.00 2.43 N ATOM 0 H ASN A 44 12.947 -28.670 -2.282 1.00 61.24 H new ATOM 0 HA ASN A 44 10.869 -27.545 -3.892 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.449 -28.718 -2.477 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.924 -29.648 -2.302 1.00 2.54 H new ATOM 0 HD21 ASN A 44 11.670 -27.967 0.960 1.00 2.43 H new ATOM 0 HD22 ASN A 44 12.468 -28.109 -0.610 1.00 2.43 H new ATOM 702 N VAL A 45 9.772 -25.829 -2.098 1.00 44.30 N ATOM 703 CA VAL A 45 9.432 -24.552 -1.483 1.00 71.11 C ATOM 704 C VAL A 45 7.922 -24.389 -1.353 1.00 24.13 C ATOM 705 O VAL A 45 7.155 -24.992 -2.103 1.00 24.45 O ATOM 706 CB VAL A 45 9.998 -23.372 -2.293 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.261 -23.230 -3.617 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.915 -22.084 -1.487 1.00 21.34 C ATOM 0 H VAL A 45 8.969 -26.364 -2.428 1.00 44.30 H new ATOM 0 HA VAL A 45 9.881 -24.549 -0.490 1.00 71.11 H new ATOM 0 HB VAL A 45 11.048 -23.572 -2.508 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.675 -22.391 -4.176 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.377 -24.145 -4.198 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.202 -23.052 -3.427 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.320 -21.260 -2.075 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.874 -21.876 -1.239 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.492 -22.192 -0.569 1.00 21.34 H new ATOM 718 N ARG A 46 7.501 -23.567 -0.396 1.00 33.25 N ATOM 719 CA ARG A 46 6.082 -23.324 -0.167 1.00 13.25 C ATOM 720 C ARG A 46 5.819 -21.844 0.091 1.00 35.22 C ATOM 721 O ARG A 46 6.121 -21.326 1.167 1.00 45.34 O ATOM 722 CB ARG A 46 5.586 -24.155 1.017 1.00 60.23 C ATOM 723 CG ARG A 46 6.061 -25.599 0.990 1.00 34.50 C ATOM 724 CD ARG A 46 5.454 -26.363 -0.177 1.00 54.54 C ATOM 725 NE ARG A 46 4.202 -27.018 0.190 1.00 74.02 N ATOM 726 CZ ARG A 46 3.557 -27.868 -0.602 1.00 73.42 C ATOM 727 NH1 ARG A 46 4.046 -28.165 -1.799 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 2.422 -28.423 -0.198 1.00 42.44 N ATOM 0 H ARG A 46 8.123 -23.059 0.233 1.00 33.25 H new ATOM 0 HA ARG A 46 5.538 -23.621 -1.064 1.00 13.25 H new ATOM 0 HB2 ARG A 46 5.921 -23.688 1.943 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.496 -24.140 1.029 1.00 60.23 H new ATOM 0 HG2 ARG A 46 7.148 -25.624 0.917 1.00 34.50 H new ATOM 0 HG3 ARG A 46 5.793 -26.089 1.926 1.00 34.50 H new ATOM 0 HD2 ARG A 46 5.275 -25.677 -1.005 1.00 54.54 H new ATOM 0 HD3 ARG A 46 6.164 -27.111 -0.530 1.00 54.54 H new ATOM 0 HE ARG A 46 3.800 -26.812 1.105 1.00 74.02 H new ATOM 0 HH11 ARG A 46 4.919 -27.741 -2.113 1.00 53.11 H new ATOM 0 HH12 ARG A 46 3.549 -28.818 -2.405 1.00 53.11 H new ATOM 0 HH21 ARG A 46 2.043 -28.197 0.722 1.00 42.44 H new ATOM 0 HH22 ARG A 46 1.928 -29.075 -0.807 1.00 42.44 H new ATOM 742 N VAL A 47 5.256 -21.166 -0.904 1.00 13.15 N ATOM 743 CA VAL A 47 4.951 -19.744 -0.785 1.00 40.55 C ATOM 744 C VAL A 47 3.619 -19.525 -0.075 1.00 21.11 C ATOM 745 O VAL A 47 2.675 -20.296 -0.254 1.00 40.40 O ATOM 746 CB VAL A 47 4.903 -19.063 -2.165 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.555 -17.590 -2.022 1.00 73.12 C ATOM 748 CG2 VAL A 47 6.229 -19.238 -2.892 1.00 3.11 C ATOM 0 H VAL A 47 5.002 -21.578 -1.802 1.00 13.15 H new ATOM 0 HA VAL A 47 5.751 -19.297 -0.195 1.00 40.55 H new ATOM 0 HB VAL A 47 4.123 -19.540 -2.759 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.526 -17.126 -3.008 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.580 -17.491 -1.545 1.00 73.12 H new ATOM 0 HG13 VAL A 47 5.310 -17.096 -1.410 1.00 73.12 H new ATOM 0 HG21 VAL A 47 6.177 -18.751 -3.866 1.00 3.11 H new ATOM 0 HG22 VAL A 47 7.029 -18.789 -2.303 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.432 -20.300 -3.028 1.00 3.11 H new ATOM 758 N ASP A 48 3.551 -18.470 0.729 1.00 31.11 N ATOM 759 CA ASP A 48 2.334 -18.148 1.465 1.00 72.44 C ATOM 760 C ASP A 48 1.948 -16.686 1.264 1.00 70.23 C ATOM 761 O ASP A 48 2.691 -15.780 1.643 1.00 21.40 O ATOM 762 CB ASP A 48 2.522 -18.439 2.955 1.00 33.25 C ATOM 763 CG ASP A 48 1.204 -18.664 3.671 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.144 -18.463 3.041 1.00 23.12 O ATOM 765 OD2 ASP A 48 1.233 -19.043 4.860 1.00 32.52 O1- ATOM 0 H ASP A 48 4.324 -17.823 0.888 1.00 31.11 H new ATOM 0 HA ASP A 48 1.529 -18.774 1.079 1.00 72.44 H new ATOM 0 HB2 ASP A 48 3.152 -19.321 3.074 1.00 33.25 H new ATOM 0 HB3 ASP A 48 3.048 -17.606 3.421 1.00 33.25 H new ATOM 770 N LEU A 49 0.784 -16.463 0.664 1.00 24.33 N ATOM 771 CA LEU A 49 0.300 -15.111 0.412 1.00 74.30 C ATOM 772 C LEU A 49 -0.612 -14.639 1.540 1.00 41.23 C ATOM 773 O LEU A 49 -1.447 -15.395 2.034 1.00 13.24 O ATOM 774 CB LEU A 49 -0.449 -15.057 -0.921 1.00 25.14 C ATOM 775 CG LEU A 49 -1.087 -13.714 -1.278 1.00 4.23 C ATOM 776 CD1 LEU A 49 -0.310 -13.034 -2.394 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.543 -13.905 -1.680 1.00 21.20 C ATOM 0 H LEU A 49 0.158 -17.202 0.343 1.00 24.33 H new ATOM 0 HA LEU A 49 1.162 -14.446 0.365 1.00 74.30 H new ATOM 0 HB2 LEU A 49 0.245 -15.330 -1.716 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.231 -15.816 -0.906 1.00 25.14 H new ATOM 0 HG LEU A 49 -1.055 -13.073 -0.397 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -0.779 -12.080 -2.635 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.717 -12.863 -2.070 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -0.310 -13.671 -3.278 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -2.981 -12.939 -1.931 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -2.598 -14.564 -2.546 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -3.094 -14.349 -0.851 1.00 21.20 H new ATOM 789 N ASN A 50 -0.446 -13.383 1.942 1.00 2.14 N ATOM 790 CA ASN A 50 -1.255 -12.810 3.011 1.00 51.24 C ATOM 791 C ASN A 50 -2.156 -11.701 2.476 1.00 73.32 C ATOM 792 O ASN A 50 -1.720 -10.563 2.300 1.00 30.13 O ATOM 793 CB ASN A 50 -0.355 -12.260 4.121 1.00 23.52 C ATOM 794 CG ASN A 50 0.180 -13.353 5.025 1.00 61.45 C ATOM 795 OD1 ASN A 50 0.243 -14.519 4.638 1.00 42.53 O ATOM 796 ND2 ASN A 50 0.567 -12.979 6.239 1.00 44.50 N ATOM 0 H ASN A 50 0.241 -12.743 1.544 1.00 2.14 H new ATOM 0 HA ASN A 50 -1.885 -13.600 3.420 1.00 51.24 H new ATOM 0 HB2 ASN A 50 0.480 -11.720 3.674 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -0.916 -11.541 4.718 1.00 23.52 H new ATOM 0 HD21 ASN A 50 0.934 -13.670 6.893 1.00 44.50 H new ATOM 0 HD22 ASN A 50 0.497 -12.000 6.518 1.00 44.50 H new ATOM 803 N ARG A 51 -3.415 -12.041 2.221 1.00 0.13 N ATOM 804 CA ARG A 51 -4.378 -11.075 1.706 1.00 51.01 C ATOM 805 C ARG A 51 -4.727 -10.036 2.767 1.00 31.24 C ATOM 806 O ARG A 51 -5.361 -9.023 2.473 1.00 2.24 O ATOM 807 CB ARG A 51 -5.648 -11.789 1.238 1.00 21.12 C ATOM 808 CG ARG A 51 -6.268 -12.684 2.299 1.00 33.14 C ATOM 809 CD ARG A 51 -7.661 -13.143 1.895 1.00 3.53 C ATOM 810 NE ARG A 51 -8.697 -12.226 2.367 1.00 0.04 N ATOM 811 CZ ARG A 51 -9.978 -12.332 2.035 1.00 72.34 C ATOM 812 NH1 ARG A 51 -10.380 -13.310 1.234 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -10.861 -11.459 2.504 1.00 73.32 N ATOM 0 H ARG A 51 -3.792 -12.978 2.363 1.00 0.13 H new ATOM 0 HA ARG A 51 -3.923 -10.563 0.858 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.381 -11.044 0.929 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.414 -12.390 0.359 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -5.630 -13.553 2.462 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -6.321 -12.146 3.245 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -7.716 -13.224 0.809 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -7.846 -14.138 2.299 1.00 3.53 H new ATOM 0 HE ARG A 51 -8.421 -11.463 2.985 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -9.704 -13.983 0.872 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -11.365 -13.389 0.980 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -10.556 -10.706 3.120 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -11.845 -11.541 2.248 1.00 73.32 H new ATOM 827 N GLU A 52 -4.309 -10.295 4.002 1.00 34.15 N ATOM 828 CA GLU A 52 -4.578 -9.383 5.107 1.00 24.22 C ATOM 829 C GLU A 52 -3.772 -8.096 4.959 1.00 0.20 C ATOM 830 O GLU A 52 -4.282 -6.999 5.189 1.00 22.35 O ATOM 831 CB GLU A 52 -4.249 -10.052 6.443 1.00 52.12 C ATOM 832 CG GLU A 52 -2.815 -10.543 6.541 1.00 75.31 C ATOM 833 CD GLU A 52 -2.546 -11.310 7.821 1.00 73.42 C ATOM 834 OE1 GLU A 52 -3.505 -11.539 8.589 1.00 11.41 O ATOM 835 OE2 GLU A 52 -1.378 -11.683 8.055 1.00 52.33 O1- ATOM 0 H GLU A 52 -3.783 -11.129 4.262 1.00 34.15 H new ATOM 0 HA GLU A 52 -5.639 -9.132 5.086 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -4.438 -9.344 7.250 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -4.924 -10.895 6.594 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -2.595 -11.182 5.686 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.138 -9.690 6.484 1.00 75.31 H new ATOM 842 N THR A 53 -2.507 -8.237 4.573 1.00 23.40 N ATOM 843 CA THR A 53 -1.628 -7.089 4.395 1.00 34.31 C ATOM 844 C THR A 53 -0.997 -7.087 3.008 1.00 54.44 C ATOM 845 O THR A 53 -0.001 -6.407 2.769 1.00 31.00 O ATOM 846 CB THR A 53 -0.511 -7.066 5.456 1.00 73.11 C ATOM 847 OG1 THR A 53 0.375 -8.173 5.255 1.00 13.41 O ATOM 848 CG2 THR A 53 -1.096 -7.125 6.859 1.00 32.42 C ATOM 0 H THR A 53 -2.069 -9.137 4.378 1.00 23.40 H new ATOM 0 HA THR A 53 -2.246 -6.199 4.510 1.00 34.31 H new ATOM 0 HB THR A 53 0.043 -6.133 5.351 1.00 73.11 H new ATOM 0 HG1 THR A 53 1.084 -8.152 5.931 1.00 13.41 H new ATOM 0 HG21 THR A 53 -0.288 -7.108 7.591 1.00 32.42 H new ATOM 0 HG22 THR A 53 -1.748 -6.266 7.018 1.00 32.42 H new ATOM 0 HG23 THR A 53 -1.671 -8.044 6.975 1.00 32.42 H new ATOM 856 N GLY A 54 -1.585 -7.855 2.095 1.00 23.41 N ATOM 857 CA GLY A 54 -1.066 -7.929 0.742 1.00 44.31 C ATOM 858 C GLY A 54 0.414 -8.258 0.705 1.00 5.13 C ATOM 859 O GLY A 54 1.113 -7.900 -0.243 1.00 74.51 O ATOM 0 H GLY A 54 -2.411 -8.427 2.269 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.617 -8.687 0.186 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.236 -6.977 0.238 1.00 44.31 H new ATOM 863 N SER A 55 0.892 -8.939 1.741 1.00 33.40 N ATOM 864 CA SER A 55 2.299 -9.311 1.826 1.00 75.11 C ATOM 865 C SER A 55 2.514 -10.739 1.334 1.00 63.23 C ATOM 866 O SER A 55 1.557 -11.465 1.066 1.00 45.55 O ATOM 867 CB SER A 55 2.799 -9.175 3.266 1.00 55.25 C ATOM 868 OG SER A 55 4.096 -8.606 3.305 1.00 71.01 O ATOM 0 H SER A 55 0.326 -9.244 2.533 1.00 33.40 H new ATOM 0 HA SER A 55 2.867 -8.635 1.187 1.00 75.11 H new ATOM 0 HB2 SER A 55 2.109 -8.554 3.837 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.814 -10.155 3.743 1.00 55.25 H new ATOM 0 HG SER A 55 4.391 -8.528 4.236 1.00 71.01 H new ATOM 874 N ILE A 56 3.778 -11.135 1.219 1.00 3.53 N ATOM 875 CA ILE A 56 4.120 -12.475 0.760 1.00 74.13 C ATOM 876 C ILE A 56 5.435 -12.947 1.371 1.00 0.40 C ATOM 877 O ILE A 56 6.343 -12.150 1.606 1.00 42.33 O ATOM 878 CB ILE A 56 4.229 -12.534 -0.775 1.00 73.52 C ATOM 879 CG1 ILE A 56 4.058 -13.973 -1.265 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.565 -11.968 -1.233 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.660 -14.286 -1.746 1.00 3.04 C ATOM 0 H ILE A 56 4.582 -10.546 1.438 1.00 3.53 H new ATOM 0 HA ILE A 56 3.315 -13.134 1.084 1.00 74.13 H new ATOM 0 HB ILE A 56 3.433 -11.927 -1.205 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.762 -14.158 -2.076 1.00 3.03 H new ATOM 0 HG13 ILE A 56 4.317 -14.657 -0.456 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.627 -12.017 -2.320 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.650 -10.930 -0.911 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.376 -12.551 -0.797 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.613 -15.323 -2.078 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.952 -14.134 -0.931 1.00 3.04 H new ATOM 0 HD13 ILE A 56 2.405 -13.627 -2.576 1.00 3.04 H new ATOM 893 N ARG A 57 5.530 -14.248 1.625 1.00 32.14 N ATOM 894 CA ARG A 57 6.734 -14.826 2.208 1.00 64.45 C ATOM 895 C ARG A 57 6.988 -16.226 1.656 1.00 32.01 C ATOM 896 O ARG A 57 6.099 -17.079 1.666 1.00 32.22 O ATOM 897 CB ARG A 57 6.613 -14.881 3.732 1.00 61.04 C ATOM 898 CG ARG A 57 6.608 -13.512 4.391 1.00 70.51 C ATOM 899 CD ARG A 57 7.964 -12.833 4.277 1.00 15.33 C ATOM 900 NE ARG A 57 8.116 -11.749 5.244 1.00 71.31 N ATOM 901 CZ ARG A 57 9.292 -11.265 5.626 1.00 72.11 C ATOM 902 NH1 ARG A 57 10.413 -11.767 5.127 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 9.349 -10.277 6.511 1.00 34.43 N ATOM 0 H ARG A 57 4.788 -14.921 1.436 1.00 32.14 H new ATOM 0 HA ARG A 57 7.578 -14.190 1.940 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.695 -15.406 3.997 1.00 61.04 H new ATOM 0 HB3 ARG A 57 7.441 -15.465 4.133 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.846 -12.886 3.926 1.00 70.51 H new ATOM 0 HG3 ARG A 57 6.338 -13.614 5.442 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.752 -13.570 4.431 1.00 15.33 H new ATOM 0 HD3 ARG A 57 8.089 -12.439 3.268 1.00 15.33 H new ATOM 0 HE ARG A 57 7.273 -11.341 5.648 1.00 71.31 H new ATOM 0 HH11 ARG A 57 10.373 -12.527 4.448 1.00 34.40 H new ATOM 0 HH12 ARG A 57 11.315 -11.393 5.422 1.00 34.40 H new ATOM 0 HH21 ARG A 57 8.489 -9.889 6.898 1.00 34.43 H new ATOM 0 HH22 ARG A 57 10.253 -9.906 6.804 1.00 34.43 H new ATOM 917 N VAL A 58 8.205 -16.457 1.176 1.00 42.34 N ATOM 918 CA VAL A 58 8.575 -17.753 0.621 1.00 43.54 C ATOM 919 C VAL A 58 9.433 -18.546 1.601 1.00 10.15 C ATOM 920 O VAL A 58 10.499 -18.091 2.017 1.00 73.04 O ATOM 921 CB VAL A 58 9.340 -17.598 -0.706 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.439 -18.934 -1.426 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.670 -16.556 -1.589 1.00 4.35 C ATOM 0 H VAL A 58 8.952 -15.763 1.160 1.00 42.34 H new ATOM 0 HA VAL A 58 7.647 -18.294 0.435 1.00 43.54 H new ATOM 0 HB VAL A 58 10.351 -17.257 -0.484 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.983 -18.804 -2.362 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.968 -19.649 -0.795 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.437 -19.308 -1.638 1.00 55.51 H new ATOM 0 HG21 VAL A 58 9.224 -16.460 -2.523 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.647 -16.865 -1.804 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.658 -15.596 -1.073 1.00 4.35 H new ATOM 933 N PHE A 59 8.963 -19.734 1.964 1.00 1.31 N ATOM 934 CA PHE A 59 9.688 -20.591 2.896 1.00 44.44 C ATOM 935 C PHE A 59 9.968 -21.956 2.274 1.00 1.24 C ATOM 936 O PHE A 59 9.136 -22.504 1.551 1.00 3.23 O ATOM 937 CB PHE A 59 8.890 -20.762 4.190 1.00 43.13 C ATOM 938 CG PHE A 59 8.553 -19.462 4.862 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.493 -18.805 5.640 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.296 -18.897 4.717 1.00 45.01 C ATOM 941 CE1 PHE A 59 9.185 -17.609 6.260 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.982 -17.701 5.335 1.00 52.11 C ATOM 943 CZ PHE A 59 7.928 -17.056 6.106 1.00 33.22 C ATOM 0 H PHE A 59 8.083 -20.126 1.628 1.00 1.31 H new ATOM 0 HA PHE A 59 10.641 -20.113 3.125 1.00 44.44 H new ATOM 0 HB2 PHE A 59 7.967 -21.298 3.970 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.462 -21.382 4.881 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.477 -19.232 5.763 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.553 -19.397 4.114 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.926 -17.107 6.864 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.998 -17.272 5.215 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.686 -16.120 6.588 1.00 33.22 H new ATOM 953 N ALA A 60 11.147 -22.498 2.558 1.00 64.33 N ATOM 954 CA ALA A 60 11.538 -23.799 2.030 1.00 61.55 C ATOM 955 C ALA A 60 11.240 -24.911 3.030 1.00 45.11 C ATOM 956 O ALA A 60 11.540 -24.786 4.218 1.00 31.21 O ATOM 957 CB ALA A 60 13.015 -23.798 1.663 1.00 21.41 C ATOM 0 H ALA A 60 11.849 -22.056 3.151 1.00 64.33 H new ATOM 0 HA ALA A 60 10.952 -23.989 1.131 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.293 -24.776 1.270 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.201 -23.036 0.906 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.610 -23.581 2.550 1.00 21.41 H new ATOM 963 N ARG A 61 10.650 -25.997 2.543 1.00 41.23 N ATOM 964 CA ARG A 61 10.310 -27.130 3.395 1.00 72.14 C ATOM 965 C ARG A 61 11.464 -28.126 3.460 1.00 20.13 C ATOM 966 O ARG A 61 11.623 -28.967 2.575 1.00 1.01 O ATOM 967 CB ARG A 61 9.050 -27.825 2.878 1.00 64.24 C ATOM 968 CG ARG A 61 8.104 -28.274 3.980 1.00 32.03 C ATOM 969 CD ARG A 61 6.653 -28.197 3.535 1.00 70.43 C ATOM 970 NE ARG A 61 6.452 -28.792 2.216 1.00 4.21 N ATOM 971 CZ ARG A 61 6.458 -30.102 1.993 1.00 31.53 C ATOM 972 NH1 ARG A 61 6.651 -30.948 2.996 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 6.268 -30.567 0.766 1.00 24.30 N ATOM 0 H ARG A 61 10.397 -26.116 1.562 1.00 41.23 H new ATOM 0 HA ARG A 61 10.121 -26.753 4.400 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.520 -27.146 2.210 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.341 -28.692 2.286 1.00 64.24 H new ATOM 0 HG2 ARG A 61 8.342 -29.297 4.271 1.00 32.03 H new ATOM 0 HG3 ARG A 61 8.249 -27.650 4.862 1.00 32.03 H new ATOM 0 HD2 ARG A 61 6.023 -28.708 4.263 1.00 70.43 H new ATOM 0 HD3 ARG A 61 6.335 -27.155 3.515 1.00 70.43 H new ATOM 0 HE ARG A 61 6.299 -28.168 1.424 1.00 4.21 H new ATOM 0 HH11 ARG A 61 6.795 -30.594 3.942 1.00 71.04 H new ATOM 0 HH12 ARG A 61 6.655 -31.953 2.822 1.00 71.04 H new ATOM 0 HH21 ARG A 61 6.117 -29.919 -0.007 1.00 24.30 H new ATOM 0 HH22 ARG A 61 6.273 -31.573 0.595 1.00 24.30 H new ATOM 987 N LYS A 62 12.268 -28.026 4.514 1.00 10.33 N ATOM 988 CA LYS A 62 13.406 -28.917 4.696 1.00 21.43 C ATOM 989 C LYS A 62 13.049 -30.074 5.623 1.00 75.40 C ATOM 990 O LYS A 62 12.465 -29.871 6.688 1.00 2.42 O ATOM 991 CB LYS A 62 14.599 -28.145 5.264 1.00 43.22 C ATOM 992 CG LYS A 62 15.411 -27.416 4.207 1.00 41.54 C ATOM 993 CD LYS A 62 16.450 -26.503 4.834 1.00 43.23 C ATOM 994 CE LYS A 62 17.360 -25.888 3.781 1.00 43.44 C ATOM 995 NZ LYS A 62 18.547 -25.226 4.391 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.151 -27.335 5.255 1.00 10.33 H new ATOM 0 HA LYS A 62 13.675 -29.325 3.722 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.238 -27.422 5.996 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.250 -28.839 5.796 1.00 43.22 H new ATOM 0 HG2 LYS A 62 15.905 -28.142 3.562 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.744 -26.830 3.575 1.00 41.54 H new ATOM 0 HD2 LYS A 62 15.951 -25.711 5.392 1.00 43.23 H new ATOM 0 HD3 LYS A 62 17.049 -27.068 5.549 1.00 43.23 H new ATOM 0 HE2 LYS A 62 17.692 -26.663 3.090 1.00 43.44 H new ATOM 0 HE3 LYS A 62 16.798 -25.159 3.197 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 19.142 -24.820 3.641 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 18.232 -24.469 5.031 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 19.097 -25.926 4.928 1.00 24.24 H new ATOM 1009 N ASP A 63 13.402 -31.287 5.212 1.00 23.54 N ATOM 1010 CA ASP A 63 13.121 -32.476 6.008 1.00 42.41 C ATOM 1011 C ASP A 63 14.048 -32.554 7.216 1.00 73.33 C ATOM 1012 O ASP A 63 15.259 -32.728 7.072 1.00 62.32 O ATOM 1013 CB ASP A 63 13.271 -33.735 5.152 1.00 73.01 C ATOM 1014 CG ASP A 63 12.093 -34.679 5.299 1.00 64.14 C ATOM 1015 OD1 ASP A 63 11.636 -34.882 6.444 1.00 40.11 O ATOM 1016 OD2 ASP A 63 11.629 -35.215 4.271 1.00 60.22 O1- ATOM 0 H ASP A 63 13.883 -31.473 4.332 1.00 23.54 H new ATOM 0 HA ASP A 63 12.094 -32.409 6.366 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.375 -33.449 4.105 1.00 73.01 H new ATOM 0 HB3 ASP A 63 14.187 -34.255 5.433 1.00 73.01 H new ATOM 1021 N VAL A 64 13.473 -32.423 8.407 1.00 22.25 N ATOM 1022 CA VAL A 64 14.247 -32.479 9.641 1.00 63.30 C ATOM 1023 C VAL A 64 14.726 -33.897 9.926 1.00 51.12 C ATOM 1024 O VAL A 64 13.926 -34.790 10.206 1.00 75.14 O ATOM 1025 CB VAL A 64 13.427 -31.974 10.842 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.303 -31.868 12.081 1.00 52.52 C ATOM 1027 CG2 VAL A 64 12.780 -30.636 10.521 1.00 14.04 C ATOM 0 H VAL A 64 12.473 -32.277 8.543 1.00 22.25 H new ATOM 0 HA VAL A 64 15.111 -31.829 9.502 1.00 63.30 H new ATOM 0 HB VAL A 64 12.635 -32.695 11.047 1.00 43.02 H new ATOM 0 HG11 VAL A 64 13.706 -31.509 12.919 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.714 -32.849 12.321 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.118 -31.170 11.892 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.204 -30.294 11.381 1.00 14.04 H new ATOM 0 HG22 VAL A 64 13.554 -29.904 10.288 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.117 -30.749 9.663 1.00 14.04 H new ATOM 1037 N VAL A 65 16.039 -34.099 9.854 1.00 11.54 N ATOM 1038 CA VAL A 65 16.625 -35.410 10.106 1.00 13.21 C ATOM 1039 C VAL A 65 17.947 -35.287 10.856 1.00 31.21 C ATOM 1040 O VAL A 65 18.674 -34.306 10.694 1.00 25.11 O ATOM 1041 CB VAL A 65 16.862 -36.180 8.794 1.00 54.34 C ATOM 1042 CG1 VAL A 65 15.539 -36.604 8.176 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.670 -35.336 7.818 1.00 31.51 C ATOM 0 H VAL A 65 16.716 -33.372 9.623 1.00 11.54 H new ATOM 0 HA VAL A 65 15.913 -35.962 10.719 1.00 13.21 H new ATOM 0 HB VAL A 65 17.434 -37.080 9.021 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.727 -37.147 7.250 1.00 54.12 H new ATOM 0 HG12 VAL A 65 15.003 -37.249 8.872 1.00 54.12 H new ATOM 0 HG13 VAL A 65 14.937 -35.721 7.963 1.00 54.12 H new ATOM 0 HG21 VAL A 65 17.828 -35.896 6.896 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.127 -34.417 7.596 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.634 -35.089 8.262 1.00 31.51 H new ATOM 1053 N ASP A 66 18.251 -36.285 11.676 1.00 62.52 N ATOM 1054 CA ASP A 66 19.486 -36.289 12.450 1.00 23.33 C ATOM 1055 C ASP A 66 20.697 -36.092 11.544 1.00 21.04 C ATOM 1056 O ASP A 66 21.704 -35.517 11.954 1.00 0.24 O ATOM 1057 CB ASP A 66 19.622 -37.600 13.227 1.00 11.32 C ATOM 1058 CG ASP A 66 20.756 -37.563 14.232 1.00 10.50 C ATOM 1059 OD1 ASP A 66 20.986 -36.490 14.827 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 21.416 -38.607 14.422 1.00 32.13 O ATOM 0 H ASP A 66 17.659 -37.103 11.822 1.00 62.52 H new ATOM 0 HA ASP A 66 19.445 -35.460 13.156 1.00 23.33 H new ATOM 0 HB2 ASP A 66 18.687 -37.810 13.746 1.00 11.32 H new ATOM 0 HB3 ASP A 66 19.788 -38.418 12.527 1.00 11.32 H new ATOM 1065 N GLU A 67 20.591 -36.577 10.310 1.00 15.03 N ATOM 1066 CA GLU A 67 21.679 -36.455 9.347 1.00 31.11 C ATOM 1067 C GLU A 67 21.136 -36.223 7.940 1.00 50.23 C ATOM 1068 O GLU A 67 20.140 -36.827 7.539 1.00 63.43 O ATOM 1069 CB GLU A 67 22.552 -37.712 9.368 1.00 55.42 C ATOM 1070 CG GLU A 67 23.400 -37.842 10.621 1.00 72.25 C ATOM 1071 CD GLU A 67 24.698 -37.062 10.531 1.00 31.21 C ATOM 1072 OE1 GLU A 67 24.669 -35.916 10.035 1.00 25.33 O1- ATOM 1073 OE2 GLU A 67 25.742 -37.599 10.957 1.00 71.05 O ATOM 0 H GLU A 67 19.764 -37.057 9.955 1.00 15.03 H new ATOM 0 HA GLU A 67 22.286 -35.595 9.630 1.00 31.11 H new ATOM 0 HB2 GLU A 67 21.912 -38.590 9.280 1.00 55.42 H new ATOM 0 HB3 GLU A 67 23.206 -37.705 8.496 1.00 55.42 H new ATOM 0 HG2 GLU A 67 22.828 -37.491 11.480 1.00 72.25 H new ATOM 0 HG3 GLU A 67 23.624 -38.894 10.796 1.00 72.25 H new ATOM 1080 N VAL A 68 21.796 -35.345 7.193 1.00 15.43 N ATOM 1081 CA VAL A 68 21.381 -35.033 5.831 1.00 65.11 C ATOM 1082 C VAL A 68 21.243 -36.300 4.995 1.00 4.00 C ATOM 1083 O VAL A 68 22.207 -37.044 4.811 1.00 42.11 O ATOM 1084 CB VAL A 68 22.381 -34.084 5.142 1.00 61.52 C ATOM 1085 CG1 VAL A 68 21.961 -33.816 3.705 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.504 -32.783 5.923 1.00 63.52 C ATOM 0 H VAL A 68 22.622 -34.836 7.509 1.00 15.43 H new ATOM 0 HA VAL A 68 20.412 -34.539 5.901 1.00 65.11 H new ATOM 0 HB VAL A 68 23.359 -34.565 5.124 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.679 -33.144 3.235 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.929 -34.756 3.154 1.00 71.34 H new ATOM 0 HG13 VAL A 68 20.973 -33.356 3.695 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.214 -32.124 5.423 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.530 -32.296 5.974 1.00 63.52 H new ATOM 0 HG23 VAL A 68 22.856 -32.996 6.932 1.00 63.52 H new ATOM 1096 N TYR A 69 20.038 -36.541 4.490 1.00 32.10 N ATOM 1097 CA TYR A 69 19.773 -37.720 3.675 1.00 32.14 C ATOM 1098 C TYR A 69 19.395 -37.323 2.250 1.00 61.22 C ATOM 1099 O TYR A 69 19.580 -38.096 1.310 1.00 10.20 O ATOM 1100 CB TYR A 69 18.651 -38.553 4.297 1.00 62.24 C ATOM 1101 CG TYR A 69 19.146 -39.615 5.253 1.00 44.51 C ATOM 1102 CD1 TYR A 69 19.797 -40.750 4.785 1.00 73.44 C ATOM 1103 CD2 TYR A 69 18.963 -39.484 6.624 1.00 23.33 C ATOM 1104 CE1 TYR A 69 20.250 -41.724 5.654 1.00 1.01 C ATOM 1105 CE2 TYR A 69 19.414 -40.452 7.501 1.00 60.10 C ATOM 1106 CZ TYR A 69 20.057 -41.570 7.011 1.00 34.24 C ATOM 1107 OH TYR A 69 20.508 -42.536 7.882 1.00 60.13 O ATOM 0 H TYR A 69 19.230 -35.935 4.631 1.00 32.10 H new ATOM 0 HA TYR A 69 20.684 -38.318 3.638 1.00 32.14 H new ATOM 0 HB2 TYR A 69 17.967 -37.889 4.826 1.00 62.24 H new ATOM 0 HB3 TYR A 69 18.080 -39.030 3.501 1.00 62.24 H new ATOM 0 HD1 TYR A 69 19.952 -40.873 3.723 1.00 73.44 H new ATOM 0 HD2 TYR A 69 18.460 -38.610 7.011 1.00 23.33 H new ATOM 0 HE1 TYR A 69 20.752 -42.601 5.273 1.00 1.01 H new ATOM 0 HE2 TYR A 69 19.264 -40.334 8.564 1.00 60.10 H new ATOM 0 HH TYR A 69 20.293 -42.273 8.801 1.00 60.13 H new ATOM 1117 N ASP A 70 18.867 -36.113 2.100 1.00 20.02 N ATOM 1118 CA ASP A 70 18.465 -35.612 0.791 1.00 33.31 C ATOM 1119 C ASP A 70 19.263 -34.366 0.418 1.00 24.14 C ATOM 1120 O ASP A 70 18.980 -33.270 0.900 1.00 24.10 O ATOM 1121 CB ASP A 70 16.969 -35.296 0.780 1.00 13.03 C ATOM 1122 CG ASP A 70 16.136 -36.457 0.271 1.00 63.42 C ATOM 1123 OD1 ASP A 70 16.409 -36.937 -0.848 1.00 60.34 O ATOM 1124 OD2 ASP A 70 15.210 -36.884 0.992 1.00 62.25 O1- ATOM 0 H ASP A 70 18.708 -35.461 2.868 1.00 20.02 H new ATOM 0 HA ASP A 70 18.670 -36.388 0.053 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.648 -35.037 1.789 1.00 13.03 H new ATOM 0 HB3 ASP A 70 16.790 -34.422 0.154 1.00 13.03 H new ATOM 1129 N GLN A 71 20.261 -34.545 -0.441 1.00 45.13 N ATOM 1130 CA GLN A 71 21.101 -33.435 -0.877 1.00 73.34 C ATOM 1131 C GLN A 71 20.262 -32.341 -1.528 1.00 44.25 C ATOM 1132 O GLN A 71 20.664 -31.178 -1.568 1.00 55.10 O ATOM 1133 CB GLN A 71 22.166 -33.928 -1.857 1.00 71.25 C ATOM 1134 CG GLN A 71 23.071 -35.006 -1.281 1.00 52.44 C ATOM 1135 CD GLN A 71 24.025 -34.467 -0.234 1.00 44.52 C ATOM 1136 OE1 GLN A 71 23.612 -34.086 0.862 1.00 34.54 O ATOM 1137 NE2 GLN A 71 25.311 -34.432 -0.565 1.00 51.40 N ATOM 0 H GLN A 71 20.508 -35.447 -0.849 1.00 45.13 H new ATOM 0 HA GLN A 71 21.592 -33.017 0.002 1.00 73.34 H new ATOM 0 HB2 GLN A 71 21.675 -34.316 -2.749 1.00 71.25 H new ATOM 0 HB3 GLN A 71 22.777 -33.082 -2.172 1.00 71.25 H new ATOM 0 HG2 GLN A 71 22.458 -35.792 -0.839 1.00 52.44 H new ATOM 0 HG3 GLN A 71 23.643 -35.464 -2.088 1.00 52.44 H new ATOM 0 HE21 GLN A 71 25.610 -34.758 -1.484 1.00 51.40 H new ATOM 0 HE22 GLN A 71 25.999 -34.079 0.100 1.00 51.40 H new ATOM 1146 N ARG A 72 19.094 -32.720 -2.036 1.00 4.45 N ATOM 1147 CA ARG A 72 18.199 -31.771 -2.687 1.00 31.14 C ATOM 1148 C ARG A 72 17.612 -30.795 -1.672 1.00 3.13 C ATOM 1149 O ARG A 72 17.517 -29.594 -1.932 1.00 25.45 O ATOM 1150 CB ARG A 72 17.073 -32.512 -3.409 1.00 14.31 C ATOM 1151 CG ARG A 72 16.262 -33.422 -2.501 1.00 43.23 C ATOM 1152 CD ARG A 72 15.243 -34.230 -3.288 1.00 44.31 C ATOM 1153 NE ARG A 72 15.793 -35.500 -3.755 1.00 31.03 N ATOM 1154 CZ ARG A 72 15.048 -36.503 -4.204 1.00 1.35 C ATOM 1155 NH1 ARG A 72 13.728 -36.385 -4.248 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 15.623 -37.628 -4.611 1.00 72.31 N ATOM 0 H ARG A 72 18.745 -33.678 -2.009 1.00 4.45 H new ATOM 0 HA ARG A 72 18.778 -31.205 -3.417 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.406 -31.783 -3.868 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.500 -33.106 -4.217 1.00 14.31 H new ATOM 0 HG2 ARG A 72 16.932 -34.098 -1.970 1.00 43.23 H new ATOM 0 HG3 ARG A 72 15.750 -32.823 -1.748 1.00 43.23 H new ATOM 0 HD2 ARG A 72 14.371 -34.421 -2.663 1.00 44.31 H new ATOM 0 HD3 ARG A 72 14.901 -33.647 -4.143 1.00 44.31 H new ATOM 0 HE ARG A 72 16.805 -35.623 -3.735 1.00 31.03 H new ATOM 0 HH11 ARG A 72 13.282 -35.522 -3.936 1.00 20.14 H new ATOM 0 HH12 ARG A 72 13.158 -37.157 -4.593 1.00 20.14 H new ATOM 0 HH21 ARG A 72 16.638 -37.722 -4.579 1.00 72.31 H new ATOM 0 HH22 ARG A 72 15.050 -38.398 -4.956 1.00 72.31 H new ATOM 1170 N LEU A 73 17.218 -31.317 -0.517 1.00 3.20 N ATOM 1171 CA LEU A 73 16.638 -30.492 0.538 1.00 51.45 C ATOM 1172 C LEU A 73 16.575 -31.258 1.856 1.00 42.22 C ATOM 1173 O LEU A 73 15.944 -32.311 1.943 1.00 32.31 O ATOM 1174 CB LEU A 73 15.236 -30.028 0.138 1.00 24.54 C ATOM 1175 CG LEU A 73 14.177 -31.124 0.011 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.267 -31.131 1.229 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.365 -30.935 -1.263 1.00 14.14 C ATOM 0 H LEU A 73 17.289 -32.308 -0.286 1.00 3.20 H new ATOM 0 HA LEU A 73 17.277 -29.620 0.675 1.00 51.45 H new ATOM 0 HB2 LEU A 73 14.892 -29.301 0.874 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.306 -29.506 -0.816 1.00 24.54 H new ATOM 0 HG LEU A 73 14.683 -32.088 -0.044 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.520 -31.917 1.121 1.00 70.54 H new ATOM 0 HD12 LEU A 73 13.860 -31.315 2.125 1.00 70.54 H new ATOM 0 HD13 LEU A 73 12.768 -30.166 1.316 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.616 -31.723 -1.337 1.00 14.14 H new ATOM 0 HD22 LEU A 73 12.869 -29.965 -1.238 1.00 14.14 H new ATOM 0 HD23 LEU A 73 14.028 -30.981 -2.127 1.00 14.14 H new ATOM 1189 N GLU A 74 17.233 -30.721 2.879 1.00 52.14 N ATOM 1190 CA GLU A 74 17.251 -31.354 4.192 1.00 53.33 C ATOM 1191 C GLU A 74 17.704 -30.368 5.265 1.00 31.14 C ATOM 1192 O GLU A 74 18.249 -29.306 4.958 1.00 54.40 O ATOM 1193 CB GLU A 74 18.172 -32.574 4.183 1.00 34.50 C ATOM 1194 CG GLU A 74 17.662 -33.730 5.027 1.00 5.55 C ATOM 1195 CD GLU A 74 16.760 -34.668 4.248 1.00 50.11 C ATOM 1196 OE1 GLU A 74 15.736 -34.197 3.711 1.00 53.23 O ATOM 1197 OE2 GLU A 74 17.081 -35.873 4.175 1.00 54.12 O1- ATOM 0 H GLU A 74 17.760 -29.850 2.823 1.00 52.14 H new ATOM 0 HA GLU A 74 16.236 -31.677 4.425 1.00 53.33 H new ATOM 0 HB2 GLU A 74 18.300 -32.914 3.155 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.156 -32.278 4.545 1.00 34.50 H new ATOM 0 HG2 GLU A 74 18.511 -34.290 5.419 1.00 5.55 H new ATOM 0 HG3 GLU A 74 17.116 -33.336 5.884 1.00 5.55 H new ATOM 1204 N ILE A 75 17.475 -30.726 6.524 1.00 62.14 N ATOM 1205 CA ILE A 75 17.861 -29.875 7.642 1.00 30.31 C ATOM 1206 C ILE A 75 18.191 -30.705 8.878 1.00 75.04 C ATOM 1207 O ILE A 75 17.393 -31.536 9.312 1.00 14.04 O ATOM 1208 CB ILE A 75 16.748 -28.870 7.995 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.149 -28.038 9.215 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.438 -29.601 8.254 1.00 62.41 C ATOM 1211 CD1 ILE A 75 16.898 -26.556 9.044 1.00 31.35 C ATOM 0 H ILE A 75 17.024 -31.600 6.795 1.00 62.14 H new ATOM 0 HA ILE A 75 18.749 -29.327 7.328 1.00 30.31 H new ATOM 0 HB ILE A 75 16.606 -28.196 7.150 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.597 -28.394 10.085 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.207 -28.198 9.422 1.00 4.55 H new ATOM 0 HG21 ILE A 75 14.661 -28.878 8.502 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.147 -30.154 7.361 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.567 -30.295 9.085 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.205 -26.028 9.947 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.471 -26.186 8.194 1.00 31.35 H new ATOM 0 HD13 ILE A 75 15.836 -26.385 8.868 1.00 31.35 H new ATOM 1223 N SER A 76 19.372 -30.473 9.441 1.00 72.03 N ATOM 1224 CA SER A 76 19.810 -31.201 10.627 1.00 2.32 C ATOM 1225 C SER A 76 18.958 -30.830 11.837 1.00 11.44 C ATOM 1226 O SER A 76 18.616 -29.664 12.034 1.00 13.53 O ATOM 1227 CB SER A 76 21.284 -30.908 10.916 1.00 63.42 C ATOM 1228 OG SER A 76 21.456 -29.585 11.392 1.00 63.00 O ATOM 0 H SER A 76 20.043 -29.787 9.096 1.00 72.03 H new ATOM 0 HA SER A 76 19.691 -32.267 10.434 1.00 2.32 H new ATOM 0 HB2 SER A 76 21.661 -31.616 11.655 1.00 63.42 H new ATOM 0 HB3 SER A 76 21.871 -31.051 10.009 1.00 63.42 H new ATOM 0 HG SER A 76 22.406 -29.423 11.571 1.00 63.00 H new ATOM 1234 N ILE A 77 18.621 -31.831 12.644 1.00 32.21 N ATOM 1235 CA ILE A 77 17.811 -31.610 13.835 1.00 42.24 C ATOM 1236 C ILE A 77 18.382 -30.480 14.687 1.00 3.30 C ATOM 1237 O ILE A 77 17.638 -29.723 15.309 1.00 62.34 O ATOM 1238 CB ILE A 77 17.713 -32.885 14.694 1.00 2.05 C ATOM 1239 CG1 ILE A 77 16.806 -32.644 15.902 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.097 -33.329 15.143 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.381 -32.302 15.530 1.00 2.10 C ATOM 0 H ILE A 77 18.896 -32.802 12.495 1.00 32.21 H new ATOM 0 HA ILE A 77 16.814 -31.335 13.491 1.00 42.24 H new ATOM 0 HB ILE A 77 17.277 -33.680 14.089 1.00 2.05 H new ATOM 0 HG12 ILE A 77 16.805 -33.536 16.529 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.221 -31.834 16.501 1.00 61.14 H new ATOM 0 HG21 ILE A 77 19.011 -34.231 15.749 1.00 44.33 H new ATOM 0 HG22 ILE A 77 19.714 -33.537 14.269 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.559 -32.538 15.734 1.00 44.33 H new ATOM 0 HD11 ILE A 77 14.796 -32.145 16.436 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.370 -31.393 14.929 1.00 2.10 H new ATOM 0 HD13 ILE A 77 14.948 -33.122 14.957 1.00 2.10 H new ATOM 1253 N GLU A 78 19.706 -30.374 14.707 1.00 30.11 N ATOM 1254 CA GLU A 78 20.377 -29.335 15.482 1.00 0.34 C ATOM 1255 C GLU A 78 20.191 -27.967 14.833 1.00 42.21 C ATOM 1256 O GLU A 78 20.034 -26.959 15.519 1.00 45.21 O ATOM 1257 CB GLU A 78 21.868 -29.651 15.617 1.00 12.10 C ATOM 1258 CG GLU A 78 22.587 -29.769 14.283 1.00 52.02 C ATOM 1259 CD GLU A 78 23.825 -30.640 14.365 1.00 3.31 C ATOM 1260 OE1 GLU A 78 24.907 -30.107 14.692 1.00 44.14 O ATOM 1261 OE2 GLU A 78 23.714 -31.856 14.102 1.00 41.43 O1- ATOM 0 H GLU A 78 20.336 -30.993 14.197 1.00 30.11 H new ATOM 0 HA GLU A 78 19.928 -29.310 16.475 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.344 -28.870 16.209 1.00 12.10 H new ATOM 0 HB3 GLU A 78 21.985 -30.585 16.167 1.00 12.10 H new ATOM 0 HG2 GLU A 78 21.904 -30.183 13.541 1.00 52.02 H new ATOM 0 HG3 GLU A 78 22.869 -28.775 13.937 1.00 52.02 H new ATOM 1268 N GLU A 79 20.210 -27.942 13.503 1.00 34.12 N ATOM 1269 CA GLU A 79 20.046 -26.698 12.761 1.00 41.22 C ATOM 1270 C GLU A 79 18.677 -26.081 13.030 1.00 73.11 C ATOM 1271 O GLU A 79 18.566 -24.887 13.309 1.00 3.25 O ATOM 1272 CB GLU A 79 20.220 -26.946 11.261 1.00 40.51 C ATOM 1273 CG GLU A 79 20.014 -25.703 10.410 1.00 71.40 C ATOM 1274 CD GLU A 79 21.132 -24.692 10.578 1.00 23.32 C ATOM 1275 OE1 GLU A 79 22.271 -24.988 10.161 1.00 25.22 O ATOM 1276 OE2 GLU A 79 20.866 -23.601 11.126 1.00 73.13 O1- ATOM 0 H GLU A 79 20.337 -28.768 12.919 1.00 34.12 H new ATOM 0 HA GLU A 79 20.813 -26.000 13.098 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.221 -27.338 11.080 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.514 -27.714 10.944 1.00 40.51 H new ATOM 0 HG2 GLU A 79 19.945 -25.992 9.361 1.00 71.40 H new ATOM 0 HG3 GLU A 79 19.065 -25.238 10.676 1.00 71.40 H new ATOM 1283 N ALA A 80 17.637 -26.902 12.943 1.00 23.40 N ATOM 1284 CA ALA A 80 16.274 -26.438 13.178 1.00 41.12 C ATOM 1285 C ALA A 80 16.120 -25.887 14.591 1.00 13.05 C ATOM 1286 O ALA A 80 15.305 -24.995 14.833 1.00 13.31 O ATOM 1287 CB ALA A 80 15.283 -27.568 12.940 1.00 63.34 C ATOM 0 H ALA A 80 17.711 -27.893 12.711 1.00 23.40 H new ATOM 0 HA ALA A 80 16.064 -25.632 12.475 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.270 -27.207 13.119 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.368 -27.915 11.910 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.500 -28.392 13.620 1.00 63.34 H new ATOM 1293 N GLN A 81 16.904 -26.421 15.521 1.00 53.33 N ATOM 1294 CA GLN A 81 16.852 -25.982 16.910 1.00 55.10 C ATOM 1295 C GLN A 81 17.397 -24.565 17.053 1.00 65.05 C ATOM 1296 O GLN A 81 17.038 -23.843 17.983 1.00 13.14 O ATOM 1297 CB GLN A 81 17.647 -26.939 17.800 1.00 55.14 C ATOM 1298 CG GLN A 81 17.103 -28.358 17.805 1.00 15.04 C ATOM 1299 CD GLN A 81 16.375 -28.699 19.091 1.00 74.24 C ATOM 1300 OE1 GLN A 81 16.704 -28.185 20.160 1.00 60.45 O ATOM 1301 NE2 GLN A 81 15.378 -29.572 18.993 1.00 12.11 N ATOM 0 H GLN A 81 17.584 -27.159 15.338 1.00 53.33 H new ATOM 0 HA GLN A 81 15.809 -25.985 17.227 1.00 55.10 H new ATOM 0 HB2 GLN A 81 18.684 -26.957 17.464 1.00 55.14 H new ATOM 0 HB3 GLN A 81 17.649 -26.556 18.820 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.423 -28.486 16.962 1.00 15.04 H new ATOM 0 HG3 GLN A 81 17.925 -29.059 17.660 1.00 15.04 H new ATOM 0 HE21 GLN A 81 15.139 -29.974 18.086 1.00 12.11 H new ATOM 0 HE22 GLN A 81 14.852 -29.840 19.824 1.00 12.11 H new ATOM 1310 N GLY A 82 18.266 -24.173 16.127 1.00 10.33 N ATOM 1311 CA GLY A 82 18.846 -22.844 16.169 1.00 0.41 C ATOM 1312 C GLY A 82 17.796 -21.752 16.136 1.00 3.45 C ATOM 1313 O GLY A 82 17.976 -20.691 16.736 1.00 20.11 O ATOM 0 H GLY A 82 18.579 -24.752 15.348 1.00 10.33 H new ATOM 0 HA2 GLY A 82 19.445 -22.741 17.074 1.00 0.41 H new ATOM 0 HA3 GLY A 82 19.522 -22.719 15.323 1.00 0.41 H new ATOM 1317 N ILE A 83 16.699 -22.008 15.432 1.00 31.40 N ATOM 1318 CA ILE A 83 15.616 -21.038 15.324 1.00 1.12 C ATOM 1319 C ILE A 83 14.374 -21.515 16.067 1.00 73.35 C ATOM 1320 O ILE A 83 13.532 -20.712 16.471 1.00 13.12 O ATOM 1321 CB ILE A 83 15.248 -20.768 13.853 1.00 1.41 C ATOM 1322 CG1 ILE A 83 14.663 -22.026 13.210 1.00 4.34 C ATOM 1323 CG2 ILE A 83 16.470 -20.291 13.080 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.262 -21.837 11.764 1.00 2.43 C ATOM 0 H ILE A 83 16.536 -22.879 14.927 1.00 31.40 H new ATOM 0 HA ILE A 83 15.974 -20.114 15.777 1.00 1.12 H new ATOM 0 HB ILE A 83 14.492 -19.983 13.822 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.396 -22.830 13.273 1.00 4.34 H new ATOM 0 HG13 ILE A 83 13.791 -22.344 13.781 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.194 -20.104 12.042 1.00 22.22 H new ATOM 0 HG22 ILE A 83 16.847 -19.371 13.526 1.00 22.22 H new ATOM 0 HG23 ILE A 83 17.246 -21.056 13.117 1.00 22.22 H new ATOM 0 HD11 ILE A 83 13.856 -22.770 11.374 1.00 2.43 H new ATOM 0 HD12 ILE A 83 13.506 -21.055 11.695 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.135 -21.549 11.179 1.00 2.43 H new ATOM 1336 N HIS A 84 14.265 -22.828 16.247 1.00 63.03 N ATOM 1337 CA HIS A 84 13.125 -23.413 16.944 1.00 54.51 C ATOM 1338 C HIS A 84 13.472 -24.795 17.488 1.00 12.33 C ATOM 1339 O HIS A 84 13.414 -25.800 16.780 1.00 53.42 O ATOM 1340 CB HIS A 84 11.921 -23.508 16.007 1.00 32.52 C ATOM 1341 CG HIS A 84 10.630 -23.100 16.647 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.299 -23.422 17.946 1.00 42.33 N ATOM 1343 CD2 HIS A 84 9.587 -22.388 16.160 1.00 40.41 C ATOM 1344 CE1 HIS A 84 9.107 -22.929 18.230 1.00 4.32 C ATOM 1345 NE2 HIS A 84 8.653 -22.297 17.163 1.00 13.00 N ATOM 0 H HIS A 84 14.952 -23.507 15.920 1.00 63.03 H new ATOM 0 HA HIS A 84 12.872 -22.765 17.783 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.099 -22.879 15.135 1.00 32.52 H new ATOM 0 HB3 HIS A 84 11.831 -24.533 15.648 1.00 32.52 H new ATOM 0 HD2 HIS A 84 9.505 -21.969 15.168 1.00 40.41 H new ATOM 0 HE1 HIS A 84 8.591 -23.026 19.174 1.00 4.32 H new ATOM 0 HE2 HIS A 84 7.755 -21.819 17.095 1.00 13.00 H new ATOM 1353 N PRO A 85 13.845 -24.848 18.775 1.00 51.33 N ATOM 1354 CA PRO A 85 14.209 -26.102 19.443 1.00 21.45 C ATOM 1355 C PRO A 85 13.008 -27.019 19.650 1.00 1.12 C ATOM 1356 O PRO A 85 13.157 -28.166 20.069 1.00 55.23 O ATOM 1357 CB PRO A 85 14.765 -25.638 20.791 1.00 54.51 C ATOM 1358 CG PRO A 85 14.118 -24.319 21.034 1.00 23.33 C ATOM 1359 CD PRO A 85 13.938 -23.690 19.679 1.00 35.21 C ATOM 0 HA PRO A 85 14.915 -26.687 18.854 1.00 21.45 H new ATOM 0 HB2 PRO A 85 14.526 -26.348 21.583 1.00 54.51 H new ATOM 0 HB3 PRO A 85 15.851 -25.547 20.761 1.00 54.51 H new ATOM 0 HG2 PRO A 85 13.159 -24.442 21.538 1.00 23.33 H new ATOM 0 HG3 PRO A 85 14.738 -23.693 21.676 1.00 23.33 H new ATOM 0 HD2 PRO A 85 13.039 -23.075 19.638 1.00 35.21 H new ATOM 0 HD3 PRO A 85 14.778 -23.045 19.421 1.00 35.21 H new ATOM 1367 N GLU A 86 11.818 -26.506 19.352 1.00 11.24 N ATOM 1368 CA GLU A 86 10.592 -27.280 19.506 1.00 2.30 C ATOM 1369 C GLU A 86 10.473 -28.335 18.410 1.00 54.33 C ATOM 1370 O GLU A 86 9.735 -29.310 18.550 1.00 72.01 O ATOM 1371 CB GLU A 86 9.372 -26.357 19.474 1.00 32.11 C ATOM 1372 CG GLU A 86 9.192 -25.542 20.744 1.00 10.02 C ATOM 1373 CD GLU A 86 8.851 -26.403 21.946 1.00 32.22 C ATOM 1374 OE1 GLU A 86 7.662 -26.753 22.104 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 9.770 -26.723 22.727 1.00 32.50 O ATOM 0 H GLU A 86 11.677 -25.558 19.003 1.00 11.24 H new ATOM 0 HA GLU A 86 10.631 -27.786 20.471 1.00 2.30 H new ATOM 0 HB2 GLU A 86 9.463 -25.678 18.626 1.00 32.11 H new ATOM 0 HB3 GLU A 86 8.477 -26.957 19.307 1.00 32.11 H new ATOM 0 HG2 GLU A 86 10.107 -24.986 20.948 1.00 10.02 H new ATOM 0 HG3 GLU A 86 8.401 -24.808 20.591 1.00 10.02 H new ATOM 1382 N TYR A 87 11.207 -28.133 17.322 1.00 13.33 N ATOM 1383 CA TYR A 87 11.182 -29.065 16.200 1.00 62.40 C ATOM 1384 C TYR A 87 11.531 -30.477 16.658 1.00 30.01 C ATOM 1385 O TYR A 87 11.850 -30.703 17.825 1.00 64.21 O ATOM 1386 CB TYR A 87 12.158 -28.613 15.113 1.00 41.24 C ATOM 1387 CG TYR A 87 11.642 -27.467 14.273 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.342 -27.471 13.780 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.452 -26.379 13.973 1.00 24.43 C ATOM 1390 CE1 TYR A 87 9.867 -26.426 13.012 1.00 10.23 C ATOM 1391 CE2 TYR A 87 11.984 -25.329 13.206 1.00 41.22 C ATOM 1392 CZ TYR A 87 10.692 -25.358 12.728 1.00 73.33 C ATOM 1393 OH TYR A 87 10.221 -24.314 11.964 1.00 33.41 O ATOM 0 H TYR A 87 11.826 -27.333 17.193 1.00 13.33 H new ATOM 0 HA TYR A 87 10.172 -29.075 15.790 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.097 -28.316 15.580 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.380 -29.458 14.462 1.00 41.24 H new ATOM 0 HD1 TYR A 87 9.693 -28.305 14.001 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.465 -26.353 14.346 1.00 24.43 H new ATOM 0 HE1 TYR A 87 8.855 -26.445 12.636 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.627 -24.491 12.983 1.00 41.22 H new ATOM 0 HH TYR A 87 10.777 -23.521 12.115 1.00 33.41 H new ATOM 1403 N MET A 88 11.467 -31.426 15.729 1.00 30.33 N ATOM 1404 CA MET A 88 11.779 -32.817 16.036 1.00 15.53 C ATOM 1405 C MET A 88 12.025 -33.613 14.758 1.00 10.42 C ATOM 1406 O MET A 88 11.399 -33.363 13.729 1.00 24.25 O ATOM 1407 CB MET A 88 10.640 -33.452 16.836 1.00 14.22 C ATOM 1408 CG MET A 88 10.944 -34.864 17.310 1.00 4.24 C ATOM 1409 SD MET A 88 12.271 -34.917 18.530 1.00 21.05 S ATOM 1410 CE MET A 88 11.538 -33.977 19.867 1.00 34.51 C ATOM 0 H MET A 88 11.202 -31.257 14.759 1.00 30.33 H new ATOM 0 HA MET A 88 12.689 -32.836 16.636 1.00 15.53 H new ATOM 0 HB2 MET A 88 10.422 -32.826 17.701 1.00 14.22 H new ATOM 0 HB3 MET A 88 9.741 -33.470 16.221 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.043 -35.301 17.740 1.00 4.24 H new ATOM 0 HG3 MET A 88 11.219 -35.479 16.453 1.00 4.24 H new ATOM 0 HE1 MET A 88 12.030 -34.234 20.805 1.00 34.51 H new ATOM 0 HE2 MET A 88 11.661 -32.912 19.673 1.00 34.51 H new ATOM 0 HE3 MET A 88 10.476 -34.212 19.938 1.00 34.51 H new ATOM 1420 N VAL A 89 12.941 -34.575 14.833 1.00 2.14 N ATOM 1421 CA VAL A 89 13.269 -35.408 13.682 1.00 32.25 C ATOM 1422 C VAL A 89 12.012 -36.010 13.064 1.00 31.51 C ATOM 1423 O VAL A 89 11.257 -36.718 13.730 1.00 22.02 O ATOM 1424 CB VAL A 89 14.233 -36.546 14.070 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.542 -37.418 12.863 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.510 -35.979 14.671 1.00 64.13 C ATOM 0 H VAL A 89 13.468 -34.796 15.678 1.00 2.14 H new ATOM 0 HA VAL A 89 13.756 -34.762 12.951 1.00 32.25 H new ATOM 0 HB VAL A 89 13.750 -37.169 14.823 1.00 43.25 H new ATOM 0 HG11 VAL A 89 15.224 -38.216 13.156 1.00 5.33 H new ATOM 0 HG12 VAL A 89 13.618 -37.852 12.482 1.00 5.33 H new ATOM 0 HG13 VAL A 89 15.006 -36.811 12.085 1.00 5.33 H new ATOM 0 HG21 VAL A 89 16.180 -36.796 14.939 1.00 64.13 H new ATOM 0 HG22 VAL A 89 16.000 -35.333 13.942 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.267 -35.401 15.563 1.00 64.13 H new ATOM 1436 N GLY A 90 11.792 -35.725 11.784 1.00 61.31 N ATOM 1437 CA GLY A 90 10.627 -36.246 11.097 1.00 5.34 C ATOM 1438 C GLY A 90 9.667 -35.152 10.669 1.00 73.20 C ATOM 1439 O GLY A 90 8.829 -35.360 9.792 1.00 73.05 O ATOM 0 H GLY A 90 12.402 -35.142 11.211 1.00 61.31 H new ATOM 0 HA2 GLY A 90 10.948 -36.807 10.219 1.00 5.34 H new ATOM 0 HA3 GLY A 90 10.107 -36.946 11.751 1.00 5.34 H new ATOM 1443 N ASP A 91 9.790 -33.985 11.291 1.00 14.12 N ATOM 1444 CA ASP A 91 8.927 -32.854 10.971 1.00 22.15 C ATOM 1445 C ASP A 91 9.509 -32.034 9.823 1.00 32.31 C ATOM 1446 O ASP A 91 10.467 -32.450 9.173 1.00 53.31 O ATOM 1447 CB ASP A 91 8.735 -31.967 12.202 1.00 12.13 C ATOM 1448 CG ASP A 91 7.326 -31.414 12.303 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.385 -32.217 12.477 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.166 -30.180 12.211 1.00 3.14 O ATOM 0 H ASP A 91 10.479 -33.797 12.020 1.00 14.12 H new ATOM 0 HA ASP A 91 7.958 -33.245 10.660 1.00 22.15 H new ATOM 0 HB2 ASP A 91 8.962 -32.542 13.100 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.445 -31.141 12.165 1.00 12.13 H new ATOM 1455 N VAL A 92 8.922 -30.867 9.580 1.00 31.51 N ATOM 1456 CA VAL A 92 9.381 -29.988 8.512 1.00 42.33 C ATOM 1457 C VAL A 92 9.554 -28.557 9.012 1.00 75.52 C ATOM 1458 O VAL A 92 8.743 -28.060 9.793 1.00 53.31 O ATOM 1459 CB VAL A 92 8.403 -29.989 7.323 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.500 -31.298 6.553 1.00 55.14 C ATOM 1461 CG2 VAL A 92 6.980 -29.750 7.805 1.00 61.45 C ATOM 0 H VAL A 92 8.127 -30.508 10.109 1.00 31.51 H new ATOM 0 HA VAL A 92 10.345 -30.373 8.180 1.00 42.33 H new ATOM 0 HB VAL A 92 8.676 -29.177 6.649 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.802 -31.281 5.716 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.515 -31.424 6.176 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.253 -32.128 7.214 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.301 -29.754 6.952 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.694 -30.540 8.500 1.00 61.45 H new ATOM 0 HG23 VAL A 92 6.924 -28.785 8.309 1.00 61.45 H new ATOM 1471 N VAL A 93 10.616 -27.902 8.556 1.00 53.22 N ATOM 1472 CA VAL A 93 10.896 -26.527 8.956 1.00 1.40 C ATOM 1473 C VAL A 93 10.822 -25.582 7.762 1.00 13.54 C ATOM 1474 O VAL A 93 11.309 -25.899 6.676 1.00 42.32 O ATOM 1475 CB VAL A 93 12.284 -26.404 9.611 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.361 -26.943 8.683 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.568 -24.958 9.988 1.00 1.50 C ATOM 0 H VAL A 93 11.297 -28.300 7.909 1.00 53.22 H new ATOM 0 HA VAL A 93 10.134 -26.248 9.684 1.00 1.40 H new ATOM 0 HB VAL A 93 12.291 -27.001 10.523 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.335 -26.848 9.162 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.163 -27.993 8.468 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.357 -26.375 7.753 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.553 -24.889 10.450 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.543 -24.337 9.093 1.00 1.50 H new ATOM 0 HG23 VAL A 93 11.812 -24.610 10.692 1.00 1.50 H new ATOM 1487 N GLU A 94 10.211 -24.420 7.970 1.00 63.33 N ATOM 1488 CA GLU A 94 10.075 -23.428 6.910 1.00 13.04 C ATOM 1489 C GLU A 94 10.985 -22.230 7.166 1.00 14.14 C ATOM 1490 O GLU A 94 10.766 -21.460 8.101 1.00 22.33 O ATOM 1491 CB GLU A 94 8.622 -22.965 6.799 1.00 72.23 C ATOM 1492 CG GLU A 94 7.843 -23.661 5.696 1.00 51.42 C ATOM 1493 CD GLU A 94 6.350 -23.688 5.962 1.00 45.35 C ATOM 1494 OE1 GLU A 94 5.899 -22.967 6.876 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.635 -24.429 5.257 1.00 11.44 O1- ATOM 0 H GLU A 94 9.802 -24.143 8.862 1.00 63.33 H new ATOM 0 HA GLU A 94 10.373 -23.894 5.971 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.121 -23.139 7.751 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.605 -21.890 6.621 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.030 -23.154 4.749 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.207 -24.683 5.588 1.00 51.42 H new ATOM 1502 N ILE A 95 12.005 -22.079 6.327 1.00 43.41 N ATOM 1503 CA ILE A 95 12.947 -20.975 6.462 1.00 24.11 C ATOM 1504 C ILE A 95 12.816 -19.996 5.300 1.00 51.42 C ATOM 1505 O ILE A 95 12.653 -20.401 4.150 1.00 43.44 O ATOM 1506 CB ILE A 95 14.400 -21.480 6.530 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.515 -22.635 7.528 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.338 -20.345 6.914 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.392 -24.000 6.890 1.00 4.40 C ATOM 0 H ILE A 95 12.200 -22.707 5.547 1.00 43.41 H new ATOM 0 HA ILE A 95 12.704 -20.465 7.394 1.00 24.11 H new ATOM 0 HB ILE A 95 14.689 -21.846 5.545 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.475 -22.568 8.040 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.740 -22.527 8.287 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.361 -20.718 6.958 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.273 -19.551 6.170 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.053 -19.952 7.890 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.483 -24.769 7.657 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.421 -24.087 6.402 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.183 -24.129 6.151 1.00 4.40 H new ATOM 1521 N GLU A 96 12.888 -18.706 5.610 1.00 15.41 N ATOM 1522 CA GLU A 96 12.778 -17.668 4.590 1.00 4.20 C ATOM 1523 C GLU A 96 13.771 -17.912 3.457 1.00 3.25 C ATOM 1524 O GLU A 96 14.978 -18.001 3.683 1.00 21.32 O ATOM 1525 CB GLU A 96 13.019 -16.288 5.207 1.00 33.11 C ATOM 1526 CG GLU A 96 14.389 -16.139 5.847 1.00 44.11 C ATOM 1527 CD GLU A 96 14.424 -15.051 6.903 1.00 24.12 C ATOM 1528 OE1 GLU A 96 14.154 -15.359 8.082 1.00 64.34 O ATOM 1529 OE2 GLU A 96 14.722 -13.891 6.548 1.00 23.44 O1- ATOM 0 H GLU A 96 13.022 -18.354 6.558 1.00 15.41 H new ATOM 0 HA GLU A 96 11.769 -17.703 4.179 1.00 4.20 H new ATOM 0 HB2 GLU A 96 12.904 -15.528 4.434 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.253 -16.096 5.959 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.680 -17.088 6.298 1.00 44.11 H new ATOM 0 HG3 GLU A 96 15.124 -15.914 5.074 1.00 44.11 H new ATOM 1536 N VAL A 97 13.253 -18.018 2.238 1.00 52.41 N ATOM 1537 CA VAL A 97 14.092 -18.251 1.068 1.00 41.24 C ATOM 1538 C VAL A 97 13.728 -17.302 -0.067 1.00 64.02 C ATOM 1539 O VAL A 97 14.256 -17.409 -1.175 1.00 40.42 O ATOM 1540 CB VAL A 97 13.969 -19.703 0.569 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.634 -19.916 -0.129 1.00 41.13 C ATOM 1542 CG2 VAL A 97 15.126 -20.047 -0.357 1.00 14.33 C ATOM 0 H VAL A 97 12.256 -17.946 2.034 1.00 52.41 H new ATOM 0 HA VAL A 97 15.121 -18.067 1.375 1.00 41.24 H new ATOM 0 HB VAL A 97 14.012 -20.370 1.430 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.565 -20.947 -0.475 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.822 -19.712 0.569 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.558 -19.241 -0.982 1.00 41.13 H new ATOM 0 HG21 VAL A 97 15.024 -21.076 -0.700 1.00 14.33 H new ATOM 0 HG22 VAL A 97 15.117 -19.376 -1.216 1.00 14.33 H new ATOM 0 HG23 VAL A 97 16.068 -19.936 0.181 1.00 14.33 H new ATOM 1552 N THR A 98 12.821 -16.371 0.214 1.00 74.11 N ATOM 1553 CA THR A 98 12.385 -15.402 -0.784 1.00 21.42 C ATOM 1554 C THR A 98 13.495 -14.410 -1.107 1.00 23.55 C ATOM 1555 O THR A 98 14.226 -13.950 -0.230 1.00 72.05 O ATOM 1556 CB THR A 98 11.141 -14.627 -0.307 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.608 -13.849 -1.385 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.485 -13.716 0.861 1.00 33.24 C ATOM 0 H THR A 98 12.374 -16.268 1.125 1.00 74.11 H new ATOM 0 HA THR A 98 12.131 -15.964 -1.683 1.00 21.42 H new ATOM 0 HB THR A 98 10.395 -15.349 0.025 1.00 64.13 H new ATOM 0 HG1 THR A 98 10.083 -14.427 -1.977 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.591 -13.180 1.180 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.864 -14.314 1.690 1.00 33.24 H new ATOM 0 HG23 THR A 98 12.247 -13.000 0.552 1.00 33.24 H new ATOM 1566 N PRO A 99 13.626 -14.068 -2.398 1.00 61.42 N ATOM 1567 CA PRO A 99 14.645 -13.124 -2.868 1.00 22.35 C ATOM 1568 C PRO A 99 14.363 -11.695 -2.417 1.00 21.13 C ATOM 1569 O PRO A 99 13.241 -11.364 -2.031 1.00 4.33 O ATOM 1570 CB PRO A 99 14.552 -13.232 -4.392 1.00 33.45 C ATOM 1571 CG PRO A 99 13.160 -13.690 -4.655 1.00 23.31 C ATOM 1572 CD PRO A 99 12.789 -14.576 -3.498 1.00 75.43 C ATOM 0 HA PRO A 99 15.632 -13.358 -2.470 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.750 -12.272 -4.870 1.00 33.45 H new ATOM 0 HB3 PRO A 99 15.282 -13.940 -4.784 1.00 33.45 H new ATOM 0 HG2 PRO A 99 12.479 -12.843 -4.732 1.00 23.31 H new ATOM 0 HG3 PRO A 99 13.100 -14.234 -5.598 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.727 -14.505 -3.261 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.998 -15.624 -3.711 1.00 75.43 H new ATOM 1580 N LYS A 100 15.388 -10.850 -2.468 1.00 1.34 N ATOM 1581 CA LYS A 100 15.251 -9.456 -2.066 1.00 31.23 C ATOM 1582 C LYS A 100 14.514 -8.652 -3.133 1.00 11.53 C ATOM 1583 O LYS A 100 14.212 -7.475 -2.939 1.00 43.02 O ATOM 1584 CB LYS A 100 16.628 -8.840 -1.809 1.00 14.02 C ATOM 1585 CG LYS A 100 16.581 -7.573 -0.971 1.00 13.24 C ATOM 1586 CD LYS A 100 16.117 -7.860 0.447 1.00 51.30 C ATOM 1587 CE LYS A 100 16.411 -6.690 1.375 1.00 60.13 C ATOM 1588 NZ LYS A 100 15.644 -6.787 2.648 1.00 62.04 N1+ ATOM 0 H LYS A 100 16.323 -11.107 -2.784 1.00 1.34 H new ATOM 0 HA LYS A 100 14.668 -9.425 -1.145 1.00 31.23 H new ATOM 0 HB2 LYS A 100 17.257 -9.575 -1.307 1.00 14.02 H new ATOM 0 HB3 LYS A 100 17.101 -8.616 -2.765 1.00 14.02 H new ATOM 0 HG2 LYS A 100 17.570 -7.115 -0.946 1.00 13.24 H new ATOM 0 HG3 LYS A 100 15.908 -6.853 -1.436 1.00 13.24 H new ATOM 0 HD2 LYS A 100 15.047 -8.066 0.447 1.00 51.30 H new ATOM 0 HD3 LYS A 100 16.614 -8.756 0.820 1.00 51.30 H new ATOM 0 HE2 LYS A 100 17.478 -6.660 1.595 1.00 60.13 H new ATOM 0 HE3 LYS A 100 16.163 -5.756 0.872 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 15.871 -5.972 3.253 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 14.625 -6.790 2.440 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 15.899 -7.666 3.141 1.00 62.04 H new ATOM 1602 N ASP A 101 14.227 -9.296 -4.259 1.00 23.32 N ATOM 1603 CA ASP A 101 13.522 -8.642 -5.356 1.00 41.13 C ATOM 1604 C ASP A 101 12.096 -9.170 -5.478 1.00 43.12 C ATOM 1605 O ASP A 101 11.375 -8.828 -6.416 1.00 15.43 O ATOM 1606 CB ASP A 101 14.274 -8.855 -6.671 1.00 64.01 C ATOM 1607 CG ASP A 101 14.936 -10.216 -6.745 1.00 62.02 C ATOM 1608 OD1 ASP A 101 16.096 -10.338 -6.299 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 14.293 -11.161 -7.249 1.00 12.30 O ATOM 0 H ASP A 101 14.472 -10.270 -4.436 1.00 23.32 H new ATOM 0 HA ASP A 101 13.476 -7.574 -5.141 1.00 41.13 H new ATOM 0 HB2 ASP A 101 13.580 -8.746 -7.505 1.00 64.01 H new ATOM 0 HB3 ASP A 101 15.031 -8.079 -6.783 1.00 64.01 H new ATOM 1614 N PHE A 102 11.697 -10.006 -4.526 1.00 61.52 N ATOM 1615 CA PHE A 102 10.358 -10.583 -4.528 1.00 41.25 C ATOM 1616 C PHE A 102 9.319 -9.547 -4.111 1.00 61.03 C ATOM 1617 O PHE A 102 8.130 -9.695 -4.395 1.00 73.03 O ATOM 1618 CB PHE A 102 10.298 -11.789 -3.589 1.00 42.23 C ATOM 1619 CG PHE A 102 9.639 -12.992 -4.199 1.00 43.43 C ATOM 1620 CD1 PHE A 102 10.071 -13.492 -5.417 1.00 34.02 C ATOM 1621 CD2 PHE A 102 8.587 -13.624 -3.554 1.00 61.34 C ATOM 1622 CE1 PHE A 102 9.465 -14.600 -5.981 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.978 -14.732 -4.114 1.00 54.01 C ATOM 1624 CZ PHE A 102 8.419 -15.220 -5.328 1.00 15.23 C ATOM 0 H PHE A 102 12.282 -10.299 -3.743 1.00 61.52 H new ATOM 0 HA PHE A 102 10.132 -10.910 -5.543 1.00 41.25 H new ATOM 0 HB2 PHE A 102 11.311 -12.054 -3.286 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.758 -11.509 -2.685 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.890 -13.011 -5.932 1.00 34.02 H new ATOM 0 HD2 PHE A 102 8.239 -13.247 -2.604 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.810 -14.980 -6.931 1.00 50.23 H new ATOM 0 HE2 PHE A 102 7.159 -15.215 -3.603 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.946 -16.086 -5.766 1.00 15.23 H new ATOM 1634 N GLY A 103 9.776 -8.498 -3.433 1.00 33.20 N ATOM 1635 CA GLY A 103 8.873 -7.453 -2.988 1.00 14.33 C ATOM 1636 C GLY A 103 7.987 -6.935 -4.104 1.00 14.11 C ATOM 1637 O GLY A 103 6.766 -6.874 -3.958 1.00 52.21 O ATOM 0 H GLY A 103 10.755 -8.354 -3.184 1.00 33.20 H new ATOM 0 HA2 GLY A 103 8.248 -7.837 -2.181 1.00 14.33 H new ATOM 0 HA3 GLY A 103 9.453 -6.627 -2.577 1.00 14.33 H new ATOM 1641 N ARG A 104 8.602 -6.563 -5.221 1.00 11.41 N ATOM 1642 CA ARG A 104 7.861 -6.046 -6.366 1.00 21.11 C ATOM 1643 C ARG A 104 7.218 -7.183 -7.155 1.00 54.21 C ATOM 1644 O ARG A 104 6.087 -7.063 -7.625 1.00 35.02 O ATOM 1645 CB ARG A 104 8.786 -5.238 -7.277 1.00 50.22 C ATOM 1646 CG ARG A 104 8.117 -4.760 -8.555 1.00 72.45 C ATOM 1647 CD ARG A 104 8.978 -3.743 -9.287 1.00 22.14 C ATOM 1648 NE ARG A 104 10.247 -4.314 -9.730 1.00 50.51 N ATOM 1649 CZ ARG A 104 10.371 -5.083 -10.806 1.00 32.33 C ATOM 1650 NH1 ARG A 104 9.309 -5.369 -11.546 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 11.559 -5.567 -11.144 1.00 63.54 N ATOM 0 H ARG A 104 9.612 -6.610 -5.358 1.00 11.41 H new ATOM 0 HA ARG A 104 7.072 -5.394 -5.992 1.00 21.11 H new ATOM 0 HB2 ARG A 104 9.159 -4.374 -6.727 1.00 50.22 H new ATOM 0 HB3 ARG A 104 9.651 -5.849 -7.536 1.00 50.22 H new ATOM 0 HG2 ARG A 104 7.925 -5.612 -9.207 1.00 72.45 H new ATOM 0 HG3 ARG A 104 7.150 -4.316 -8.317 1.00 72.45 H new ATOM 0 HD2 ARG A 104 8.432 -3.361 -10.150 1.00 22.14 H new ATOM 0 HD3 ARG A 104 9.172 -2.894 -8.631 1.00 22.14 H new ATOM 0 HE ARG A 104 11.084 -4.111 -9.183 1.00 50.51 H new ATOM 0 HH11 ARG A 104 8.394 -4.998 -11.290 1.00 65.42 H new ATOM 0 HH12 ARG A 104 9.407 -5.960 -12.372 1.00 65.42 H new ATOM 0 HH21 ARG A 104 12.379 -5.349 -10.577 1.00 63.54 H new ATOM 0 HH22 ARG A 104 11.653 -6.157 -11.970 1.00 63.54 H new ATOM 1665 N ILE A 105 7.947 -8.285 -7.296 1.00 74.15 N ATOM 1666 CA ILE A 105 7.448 -9.443 -8.027 1.00 51.42 C ATOM 1667 C ILE A 105 6.133 -9.941 -7.436 1.00 31.22 C ATOM 1668 O ILE A 105 5.261 -10.424 -8.158 1.00 32.23 O ATOM 1669 CB ILE A 105 8.469 -10.595 -8.024 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.793 -10.133 -8.639 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.918 -11.794 -8.780 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.954 -11.055 -8.334 1.00 51.01 C ATOM 0 H ILE A 105 8.886 -8.400 -6.913 1.00 74.15 H new ATOM 0 HA ILE A 105 7.282 -9.120 -9.055 1.00 51.42 H new ATOM 0 HB ILE A 105 8.653 -10.895 -6.992 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.675 -10.055 -9.720 1.00 71.02 H new ATOM 0 HG13 ILE A 105 10.026 -9.134 -8.271 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.652 -12.600 -8.769 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.999 -12.134 -8.303 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.708 -11.509 -9.811 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.859 -10.667 -8.801 1.00 51.01 H new ATOM 0 HD12 ILE A 105 11.098 -11.114 -7.255 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.742 -12.050 -8.726 1.00 51.01 H new ATOM 1684 N ALA A 106 5.999 -9.819 -6.120 1.00 52.13 N ATOM 1685 CA ALA A 106 4.790 -10.254 -5.432 1.00 0.32 C ATOM 1686 C ALA A 106 3.547 -9.633 -6.062 1.00 11.13 C ATOM 1687 O ALA A 106 2.567 -10.326 -6.335 1.00 42.22 O ATOM 1688 CB ALA A 106 4.868 -9.900 -3.955 1.00 60.32 C ATOM 0 H ALA A 106 6.713 -9.422 -5.509 1.00 52.13 H new ATOM 0 HA ALA A 106 4.714 -11.337 -5.531 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.959 -10.231 -3.453 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.730 -10.395 -3.507 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.971 -8.821 -3.845 1.00 60.32 H new ATOM 1694 N ALA A 107 3.595 -8.324 -6.289 1.00 54.24 N ATOM 1695 CA ALA A 107 2.472 -7.612 -6.887 1.00 40.42 C ATOM 1696 C ALA A 107 2.348 -7.932 -8.372 1.00 61.51 C ATOM 1697 O ALA A 107 1.243 -8.071 -8.895 1.00 62.23 O ATOM 1698 CB ALA A 107 2.629 -6.113 -6.680 1.00 41.43 C ATOM 0 H ALA A 107 4.399 -7.736 -6.068 1.00 54.24 H new ATOM 0 HA ALA A 107 1.558 -7.943 -6.393 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.784 -5.593 -7.131 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.662 -5.895 -5.613 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.554 -5.776 -7.148 1.00 41.43 H new ATOM 1704 N GLN A 108 3.488 -8.048 -9.046 1.00 63.24 N ATOM 1705 CA GLN A 108 3.505 -8.350 -10.472 1.00 24.31 C ATOM 1706 C GLN A 108 2.905 -9.726 -10.744 1.00 33.31 C ATOM 1707 O GLN A 108 2.317 -9.961 -11.800 1.00 5.33 O ATOM 1708 CB GLN A 108 4.935 -8.289 -11.011 1.00 74.24 C ATOM 1709 CG GLN A 108 5.064 -8.762 -12.449 1.00 10.13 C ATOM 1710 CD GLN A 108 6.393 -8.381 -13.072 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.447 -8.525 -12.453 1.00 30.11 O ATOM 1712 NE2 GLN A 108 6.349 -7.890 -14.306 1.00 30.20 N ATOM 0 H GLN A 108 4.411 -7.937 -8.627 1.00 63.24 H new ATOM 0 HA GLN A 108 2.899 -7.602 -10.983 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.297 -7.263 -10.941 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.579 -8.899 -10.378 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.949 -9.845 -12.483 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.254 -8.336 -13.041 1.00 10.13 H new ATOM 0 HE21 GLN A 108 5.453 -7.788 -14.782 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.211 -7.616 -14.777 1.00 30.20 H new ATOM 1721 N THR A 109 3.056 -10.632 -9.783 1.00 14.35 N ATOM 1722 CA THR A 109 2.531 -11.985 -9.919 1.00 1.22 C ATOM 1723 C THR A 109 1.063 -12.048 -9.512 1.00 5.53 C ATOM 1724 O THR A 109 0.295 -12.849 -10.045 1.00 22.25 O ATOM 1725 CB THR A 109 3.332 -12.987 -9.068 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.735 -12.734 -9.203 1.00 62.10 O ATOM 1727 CG2 THR A 109 3.028 -14.418 -9.486 1.00 43.12 C ATOM 0 H THR A 109 3.538 -10.453 -8.902 1.00 14.35 H new ATOM 0 HA THR A 109 2.626 -12.257 -10.970 1.00 1.22 H new ATOM 0 HB THR A 109 3.039 -12.859 -8.026 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.946 -11.854 -8.827 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.606 -15.107 -8.870 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.965 -14.618 -9.354 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.296 -14.556 -10.534 1.00 43.12 H new ATOM 1735 N ALA A 110 0.681 -11.199 -8.564 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.696 -11.158 -8.086 1.00 65.20 C ATOM 1737 C ALA A 110 -1.598 -10.429 -9.077 1.00 34.15 C ATOM 1738 O ALA A 110 -2.754 -10.806 -9.274 1.00 63.40 O ATOM 1739 CB ALA A 110 -0.762 -10.491 -6.721 1.00 42.13 C ATOM 0 H ALA A 110 1.305 -10.531 -8.112 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.053 -12.184 -7.994 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -1.796 -10.468 -6.377 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.156 -11.054 -6.011 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.381 -9.472 -6.795 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.064 -9.382 -9.697 1.00 4.43 N ATOM 1746 CA LYS A 111 -1.820 -8.600 -10.667 1.00 13.33 C ATOM 1747 C LYS A 111 -2.050 -9.397 -11.948 1.00 33.32 C ATOM 1748 O LYS A 111 -3.086 -9.259 -12.597 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.083 -7.298 -10.989 1.00 20.42 C ATOM 1750 CG LYS A 111 0.308 -7.512 -11.561 1.00 74.20 C ATOM 1751 CD LYS A 111 0.425 -6.951 -12.968 1.00 34.11 C ATOM 1752 CE LYS A 111 -0.233 -7.867 -13.989 1.00 74.34 C ATOM 1753 NZ LYS A 111 -0.013 -7.392 -15.383 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.110 -9.056 -9.544 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.789 -8.363 -10.229 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.675 -6.722 -11.700 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.005 -6.700 -10.081 1.00 20.42 H new ATOM 0 HG2 LYS A 111 1.045 -7.034 -10.916 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.537 -8.578 -11.573 1.00 74.20 H new ATOM 0 HD2 LYS A 111 -0.040 -5.966 -13.008 1.00 34.11 H new ATOM 0 HD3 LYS A 111 1.477 -6.818 -13.222 1.00 34.11 H new ATOM 0 HE2 LYS A 111 0.166 -8.876 -13.882 1.00 74.34 H new ATOM 0 HE3 LYS A 111 -1.303 -7.924 -13.789 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 -0.477 -8.043 -16.049 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 -0.416 -6.439 -15.493 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 1.007 -7.362 -15.582 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.077 -10.229 -12.304 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.175 -11.048 -13.507 1.00 10.21 C ATOM 1769 C GLN A 112 -2.126 -12.220 -13.291 1.00 0.31 C ATOM 1770 O GLN A 112 -2.800 -12.666 -14.220 1.00 14.34 O ATOM 1771 CB GLN A 112 0.207 -11.566 -13.911 1.00 41.41 C ATOM 1772 CG GLN A 112 0.789 -12.573 -12.933 1.00 33.01 C ATOM 1773 CD GLN A 112 2.067 -13.209 -13.443 1.00 31.12 C ATOM 1774 OE1 GLN A 112 3.040 -12.518 -13.748 1.00 53.14 O ATOM 1775 NE2 GLN A 112 2.072 -14.534 -13.538 1.00 73.33 N ATOM 0 H GLN A 112 -0.212 -10.354 -11.777 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.571 -10.425 -14.309 1.00 10.21 H new ATOM 0 HB2 GLN A 112 0.139 -12.027 -14.897 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.891 -10.722 -14.000 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.988 -12.078 -11.983 1.00 33.01 H new ATOM 0 HG3 GLN A 112 0.052 -13.352 -12.738 1.00 33.01 H new ATOM 0 HE21 GLN A 112 1.243 -15.067 -13.274 1.00 73.33 H new ATOM 0 HE22 GLN A 112 2.904 -15.018 -13.875 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.179 -12.715 -12.059 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.049 -13.836 -11.720 1.00 53.54 C ATOM 1786 C VAL A 113 -4.505 -13.394 -11.635 1.00 33.44 C ATOM 1787 O VAL A 113 -5.372 -13.939 -12.319 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.640 -14.480 -10.383 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.723 -15.428 -9.894 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.310 -15.206 -10.526 1.00 71.43 C ATOM 0 H VAL A 113 -1.629 -12.357 -11.278 1.00 42.44 H new ATOM 0 HA VAL A 113 -2.942 -14.573 -12.516 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.519 -13.690 -9.641 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.416 -15.874 -8.948 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.652 -14.876 -9.751 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -3.878 -16.215 -10.632 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.036 -15.655 -9.571 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.401 -15.986 -11.282 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.539 -14.497 -10.828 1.00 71.43 H new ATOM 1800 N VAL A 114 -4.768 -12.402 -10.791 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.120 -11.885 -10.617 1.00 44.31 C ATOM 1802 C VAL A 114 -6.713 -11.435 -11.948 1.00 24.40 C ATOM 1803 O VAL A 114 -7.898 -11.639 -12.214 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.146 -10.701 -9.631 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.739 -11.158 -8.238 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.239 -9.581 -10.120 1.00 62.43 C ATOM 0 H VAL A 114 -4.063 -11.940 -10.217 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.720 -12.700 -10.212 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.164 -10.316 -9.578 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.763 -10.309 -7.555 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.432 -11.924 -7.889 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.730 -11.569 -8.270 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.269 -8.753 -9.412 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.217 -9.950 -10.203 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.580 -9.236 -11.096 1.00 62.43 H new ATOM 1816 N THR A 115 -5.879 -10.822 -12.784 1.00 11.13 N ATOM 1817 CA THR A 115 -6.320 -10.344 -14.088 1.00 33.11 C ATOM 1818 C THR A 115 -6.578 -11.505 -15.041 1.00 25.41 C ATOM 1819 O THR A 115 -7.411 -11.406 -15.942 1.00 0.53 O ATOM 1820 CB THR A 115 -5.282 -9.398 -14.719 1.00 14.23 C ATOM 1821 OG1 THR A 115 -5.100 -8.245 -13.888 1.00 20.24 O ATOM 1822 CG2 THR A 115 -5.721 -8.962 -16.110 1.00 72.31 C ATOM 0 H THR A 115 -4.895 -10.645 -12.580 1.00 11.13 H new ATOM 0 HA THR A 115 -7.249 -9.797 -13.927 1.00 33.11 H new ATOM 0 HB THR A 115 -4.338 -9.936 -14.805 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.238 -8.307 -13.427 1.00 20.24 H new ATOM 0 HG21 THR A 115 -4.972 -8.294 -16.535 1.00 72.31 H new ATOM 0 HG22 THR A 115 -5.830 -9.839 -16.749 1.00 72.31 H new ATOM 0 HG23 THR A 115 -6.676 -8.440 -16.043 1.00 72.31 H new ATOM 1830 N GLN A 116 -5.860 -12.604 -14.836 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.013 -13.784 -15.680 1.00 54.01 C ATOM 1832 C GLN A 116 -7.335 -14.489 -15.394 1.00 61.15 C ATOM 1833 O GLN A 116 -8.098 -14.795 -16.311 1.00 62.10 O ATOM 1834 CB GLN A 116 -4.848 -14.750 -15.457 1.00 65.13 C ATOM 1835 CG GLN A 116 -3.642 -14.461 -16.336 1.00 43.44 C ATOM 1836 CD GLN A 116 -2.370 -15.093 -15.809 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -2.374 -15.744 -14.763 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -1.271 -14.906 -16.530 1.00 23.42 N ATOM 0 H GLN A 116 -5.167 -12.703 -14.094 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.013 -13.459 -16.720 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -4.544 -14.705 -14.411 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.189 -15.768 -15.646 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -3.835 -14.829 -17.344 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -3.503 -13.383 -16.412 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -1.312 -14.360 -17.390 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -0.385 -15.309 -16.223 1.00 23.42 H new ATOM 1847 N ARG A 117 -7.600 -14.745 -14.117 1.00 54.30 N ATOM 1848 CA ARG A 117 -8.829 -15.416 -13.711 1.00 0.51 C ATOM 1849 C ARG A 117 -10.053 -14.679 -14.246 1.00 2.44 C ATOM 1850 O ARG A 117 -11.098 -15.282 -14.488 1.00 12.00 O ATOM 1851 CB ARG A 117 -8.904 -15.511 -12.186 1.00 31.12 C ATOM 1852 CG ARG A 117 -7.697 -16.188 -11.558 1.00 40.43 C ATOM 1853 CD ARG A 117 -7.708 -17.688 -11.803 1.00 72.54 C ATOM 1854 NE ARG A 117 -8.867 -18.334 -11.192 1.00 64.15 N ATOM 1855 CZ ARG A 117 -8.922 -19.631 -10.912 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -7.890 -20.417 -11.188 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -10.012 -20.145 -10.356 1.00 63.20 N ATOM 0 H ARG A 117 -6.980 -14.498 -13.346 1.00 54.30 H new ATOM 0 HA ARG A 117 -8.819 -16.422 -14.131 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.003 -14.507 -11.772 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -9.804 -16.061 -11.908 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -6.783 -15.758 -11.968 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -7.687 -15.994 -10.485 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -7.710 -17.880 -12.876 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -6.795 -18.128 -11.402 1.00 72.54 H new ATOM 0 HE ARG A 117 -9.678 -17.758 -10.968 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -7.051 -20.026 -11.616 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -7.935 -21.413 -10.972 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -10.808 -19.544 -10.144 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -10.054 -21.141 -10.141 1.00 63.20 H new ATOM 1871 N VAL A 118 -9.916 -13.369 -14.428 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.010 -12.550 -14.935 1.00 4.21 C ATOM 1873 C VAL A 118 -11.451 -13.015 -16.318 1.00 14.31 C ATOM 1874 O VAL A 118 -12.634 -13.262 -16.553 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.610 -11.064 -15.009 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -11.765 -10.225 -15.535 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.156 -10.565 -13.646 1.00 2.43 C ATOM 0 H VAL A 118 -9.058 -12.853 -14.232 1.00 41.12 H new ATOM 0 HA VAL A 118 -11.839 -12.662 -14.236 1.00 4.21 H new ATOM 0 HB VAL A 118 -9.775 -10.966 -15.703 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.464 -9.178 -15.580 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.038 -10.567 -16.533 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.622 -10.327 -14.869 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -9.877 -9.514 -13.718 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -10.969 -10.677 -12.928 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.296 -11.146 -13.314 1.00 2.43 H new ATOM 1887 N ARG A 119 -10.491 -13.134 -17.230 1.00 45.44 N ATOM 1888 CA ARG A 119 -10.781 -13.570 -18.591 1.00 54.32 C ATOM 1889 C ARG A 119 -11.520 -14.906 -18.588 1.00 31.42 C ATOM 1890 O ARG A 119 -12.541 -15.062 -19.257 1.00 55.43 O ATOM 1891 CB ARG A 119 -9.486 -13.693 -19.396 1.00 34.42 C ATOM 1892 CG ARG A 119 -8.817 -12.359 -19.679 1.00 12.01 C ATOM 1893 CD ARG A 119 -7.421 -12.546 -20.255 1.00 74.24 C ATOM 1894 NE ARG A 119 -7.450 -12.757 -21.700 1.00 63.02 N ATOM 1895 CZ ARG A 119 -7.688 -11.789 -22.579 1.00 41.21 C ATOM 1896 NH1 ARG A 119 -7.918 -10.552 -22.162 1.00 65.13 N1+ ATOM 1897 NH2 ARG A 119 -7.697 -12.059 -23.878 1.00 64.13 N ATOM 0 H ARG A 119 -9.507 -12.935 -17.051 1.00 45.44 H new ATOM 0 HA ARG A 119 -11.421 -12.821 -19.058 1.00 54.32 H new ATOM 0 HB2 ARG A 119 -8.789 -14.331 -18.852 1.00 34.42 H new ATOM 0 HB3 ARG A 119 -9.702 -14.190 -20.342 1.00 34.42 H new ATOM 0 HG2 ARG A 119 -9.426 -11.786 -20.378 1.00 12.01 H new ATOM 0 HG3 ARG A 119 -8.757 -11.778 -18.758 1.00 12.01 H new ATOM 0 HD2 ARG A 119 -6.815 -11.669 -20.029 1.00 74.24 H new ATOM 0 HD3 ARG A 119 -6.941 -13.398 -19.774 1.00 74.24 H new ATOM 0 HE ARG A 119 -7.278 -13.698 -22.054 1.00 63.02 H new ATOM 0 HH11 ARG A 119 -7.913 -10.341 -21.164 1.00 65.13 H new ATOM 0 HH12 ARG A 119 -8.100 -9.811 -22.839 1.00 65.13 H new ATOM 0 HH21 ARG A 119 -7.521 -13.010 -24.202 1.00 64.13 H new ATOM 0 HH22 ARG A 119 -7.880 -11.316 -24.552 1.00 64.13 H new ATOM 1911 N GLU A 120 -10.995 -15.865 -17.831 1.00 3.12 N ATOM 1912 CA GLU A 120 -11.604 -17.187 -17.744 1.00 33.03 C ATOM 1913 C GLU A 120 -12.995 -17.104 -17.122 1.00 32.20 C ATOM 1914 O GLU A 120 -13.950 -17.689 -17.633 1.00 44.34 O ATOM 1915 CB GLU A 120 -10.721 -18.126 -16.921 1.00 30.44 C ATOM 1916 CG GLU A 120 -9.699 -18.884 -17.751 1.00 1.51 C ATOM 1917 CD GLU A 120 -10.247 -20.185 -18.305 1.00 53.43 C ATOM 1918 OE1 GLU A 120 -11.471 -20.260 -18.540 1.00 71.34 O1- ATOM 1919 OE2 GLU A 120 -9.452 -21.127 -18.504 1.00 11.10 O ATOM 0 H GLU A 120 -10.151 -15.751 -17.270 1.00 3.12 H new ATOM 0 HA GLU A 120 -11.699 -17.583 -18.755 1.00 33.03 H new ATOM 0 HB2 GLU A 120 -10.200 -17.546 -16.159 1.00 30.44 H new ATOM 0 HB3 GLU A 120 -11.355 -18.842 -16.398 1.00 30.44 H new ATOM 0 HG2 GLU A 120 -9.367 -18.254 -18.576 1.00 1.51 H new ATOM 0 HG3 GLU A 120 -8.823 -19.095 -17.138 1.00 1.51 H new ATOM 1926 N ALA A 121 -13.101 -16.375 -16.016 1.00 41.02 N ATOM 1927 CA ALA A 121 -14.374 -16.214 -15.325 1.00 30.52 C ATOM 1928 C ALA A 121 -15.449 -15.686 -16.270 1.00 21.14 C ATOM 1929 O ALA A 121 -16.539 -16.250 -16.361 1.00 23.24 O ATOM 1930 CB ALA A 121 -14.214 -15.283 -14.133 1.00 61.44 C ATOM 0 H ALA A 121 -12.320 -15.886 -15.579 1.00 41.02 H new ATOM 0 HA ALA A 121 -14.691 -17.194 -14.967 1.00 30.52 H new ATOM 0 HB1 ALA A 121 -15.173 -15.172 -13.627 1.00 61.44 H new ATOM 0 HB2 ALA A 121 -13.484 -15.701 -13.440 1.00 61.44 H new ATOM 0 HB3 ALA A 121 -13.870 -14.307 -14.477 1.00 61.44 H new ATOM 1936 N GLU A 122 -15.133 -14.601 -16.971 1.00 33.52 N ATOM 1937 CA GLU A 122 -16.074 -13.997 -17.908 1.00 11.20 C ATOM 1938 C GLU A 122 -16.271 -14.889 -19.131 1.00 55.40 C ATOM 1939 O GLU A 122 -17.348 -14.914 -19.726 1.00 21.30 O ATOM 1940 CB GLU A 122 -15.579 -12.616 -18.342 1.00 64.21 C ATOM 1941 CG GLU A 122 -14.354 -12.664 -19.239 1.00 13.33 C ATOM 1942 CD GLU A 122 -13.975 -11.300 -19.782 1.00 3.12 C ATOM 1943 OE1 GLU A 122 -13.951 -10.332 -18.993 1.00 51.22 O1- ATOM 1944 OE2 GLU A 122 -13.703 -11.200 -20.997 1.00 65.03 O ATOM 0 H GLU A 122 -14.234 -14.123 -16.908 1.00 33.52 H new ATOM 0 HA GLU A 122 -17.033 -13.888 -17.402 1.00 11.20 H new ATOM 0 HB2 GLU A 122 -16.383 -12.099 -18.866 1.00 64.21 H new ATOM 0 HB3 GLU A 122 -15.347 -12.027 -17.455 1.00 64.21 H new ATOM 0 HG2 GLU A 122 -13.514 -13.074 -18.679 1.00 13.33 H new ATOM 0 HG3 GLU A 122 -14.544 -13.342 -20.071 1.00 13.33 H new ATOM 1951 N ARG A 123 -15.223 -15.618 -19.500 1.00 41.24 N ATOM 1952 CA ARG A 123 -15.280 -16.509 -20.652 1.00 72.40 C ATOM 1953 C ARG A 123 -16.404 -17.528 -20.497 1.00 72.21 C ATOM 1954 O ARG A 123 -17.065 -17.890 -21.468 1.00 44.14 O ATOM 1955 CB ARG A 123 -13.943 -17.230 -20.832 1.00 64.22 C ATOM 1956 CG ARG A 123 -12.972 -16.497 -21.743 1.00 70.24 C ATOM 1957 CD ARG A 123 -13.185 -16.872 -23.201 1.00 32.51 C ATOM 1958 NE ARG A 123 -12.988 -18.300 -23.434 1.00 10.34 N ATOM 1959 CZ ARG A 123 -11.793 -18.870 -23.536 1.00 11.52 C ATOM 1960 NH1 ARG A 123 -10.694 -18.136 -23.425 1.00 52.13 N1+ ATOM 1961 NH2 ARG A 123 -11.695 -20.176 -23.747 1.00 40.43 N ATOM 0 H ARG A 123 -14.324 -15.609 -19.018 1.00 41.24 H new ATOM 0 HA ARG A 123 -15.481 -15.905 -21.537 1.00 72.40 H new ATOM 0 HB2 ARG A 123 -13.479 -17.366 -19.855 1.00 64.22 H new ATOM 0 HB3 ARG A 123 -14.128 -18.224 -21.238 1.00 64.22 H new ATOM 0 HG2 ARG A 123 -13.098 -15.421 -21.621 1.00 70.24 H new ATOM 0 HG3 ARG A 123 -11.949 -16.733 -21.451 1.00 70.24 H new ATOM 0 HD2 ARG A 123 -14.194 -16.591 -23.504 1.00 32.51 H new ATOM 0 HD3 ARG A 123 -12.495 -16.304 -23.826 1.00 32.51 H new ATOM 0 HE ARG A 123 -13.814 -18.892 -23.523 1.00 10.34 H new ATOM 0 HH11 ARG A 123 -10.766 -17.132 -23.261 1.00 52.13 H new ATOM 0 HH12 ARG A 123 -9.777 -18.576 -23.504 1.00 52.13 H new ATOM 0 HH21 ARG A 123 -12.538 -20.744 -23.831 1.00 40.43 H new ATOM 0 HH22 ARG A 123 -10.776 -20.612 -23.825 1.00 40.43 H new ATOM 1975 N GLY A 124 -16.614 -17.988 -19.266 1.00 5.13 N ATOM 1976 CA GLY A 124 -17.658 -18.962 -19.006 1.00 42.31 C ATOM 1977 C GLY A 124 -17.891 -19.179 -17.524 1.00 72.23 C ATOM 1978 O GLY A 124 -17.364 -20.124 -16.938 1.00 21.50 O ATOM 0 H GLY A 124 -16.080 -17.703 -18.445 1.00 5.13 H new ATOM 0 HA2 GLY A 124 -18.586 -18.629 -19.472 1.00 42.31 H new ATOM 0 HA3 GLY A 124 -17.390 -19.911 -19.471 1.00 42.31 H new TER 1982 GLY A 124